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6,9-dichloro-2-methoxy-acridine
6,9-dichloro-2-methoxy-acridine ID: AN-42341
CAS:86-38-4
Supplier:AN PharmaTech Co Ltd

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SMILES:Clc1c2c(nc3c1ccc(Cl)c3)ccc(OC)c2	66577
FORMULA: C14H9Cl2NO
MASS: 278.1334
EXACT MASS: 277.0061193
INTERATOMIC DISTANCES

             Cl   1     Cl   2      O   3      N   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
  Cl   2    4.6483     0.0000 
   O   3    3.6625     7.3513     0.0000 
   N   4    3.0000     3.5302     4.0693     0.0000 
   C   5    1.7320     4.6528     2.7152     1.7320     0.0000 
   C   6    1.7320     3.0693     4.4272     1.7320     1.7320     0.0000 
   C   7    2.6457     4.4272     3.0693     1.0000     1.0000     2.0000 
   C   8    2.6457     2.7152     4.6528     1.0000     2.0000     1.0000 
   C   9    1.0000     4.0692     3.5302     2.0000     1.0000     1.0000 
   C  10    2.0073     5.6766     1.7701     2.6903     1.0417     2.6799 
   C  11    3.5080     5.2901     2.7151     1.7603     1.7760     3.0415 
   C  12    2.0072     2.7152     5.2900     2.6902     2.6798     1.0416 
   C  13    3.0490     6.3859     1.0000     3.0694     1.8002     3.5322 
   C  14    3.5080     1.7702     5.6765     1.7602     3.0414     1.7760 
   C  15    3.6691     6.2166     1.7702     2.7088     2.0694     3.6767 
   C  16    3.0489     1.7701     6.2165     3.0693     3.5321     1.8001 
   C  17    3.6691     1.0000     6.3858     2.7087     3.6766     2.0693 
   C  18    4.6381     8.0786     1.0001     4.6558     3.5322     5.2642 
   H  19    1.7865     5.9233     1.8858     3.1812     1.4559     2.8621 
   H  20    4.0532     5.3204     3.2148     1.8710     2.3300     3.3912 
   H  21    1.7865     3.2148     5.3204     3.1812     2.8621     1.4559 
   H  22    4.0532     1.8858     5.9233     1.8710     3.3912     2.3300 
   H  23    4.2751     6.7346     1.8859     3.2062     2.6893     4.2806 
   H  24    3.4078     1.8858     6.7345     3.6892     4.0813     2.3593 
   H  25    4.5577     7.6874     1.1767     4.2082     3.2644     4.9824 
   H  26    5.2475     8.5572     1.6200     5.0846     4.0798     5.8090 
   H  27    4.7979     8.4971     1.1766     5.1394     3.8814     5.6006 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    1.7320     1.7320     0.0000 
   C  10    1.7761     3.0416     1.7603     0.0000 
   C  11    1.0416     2.6799     2.6902     2.0693     0.0000 
   C  12    3.0415     1.7761     1.7602     3.5199     4.0831     0.0000 
   C  13    2.0694     3.6767     2.7088     1.0417     1.8001     4.4557 
   C  14    2.6798     1.0416     2.6901     4.0831     3.5199     2.0693 
   C  15    1.8002     3.5322     3.0694     1.8002     1.0416     4.6914 
   C  16    3.6766     2.0693     2.7087     4.4557     4.6913     1.0417 
   C  17    3.5321     1.8001     3.0693     4.6914     4.4557     1.8002 
   C  18    3.6785     5.3634     4.4234     2.6864     3.0659     6.1789 
   H  19    2.3301     3.3913     1.8711     0.6200     2.6893     3.5670 
   H  20    1.4559     2.8620     3.1811     2.6893     0.6200     4.4240 
   H  21    3.3913     2.3301     1.8711     3.5671     4.4240     0.6200 
   H  22    2.8620     1.4559     3.1811     4.4240     3.5671     2.6893 
   H  23    2.3594     4.0814     3.6893     2.3594     1.4558     5.3015 
   H  24    4.2805     2.6893     3.2061     4.9658     5.3015     1.4559 
   H  25    3.2611     4.9803     4.2132     2.5539     2.5453     5.9428 
   H  26    4.1333     5.8467     4.9975     3.2791     3.4149     6.7455 
   H  27    4.1469     5.7878     4.7065     2.9462     3.6180     6.4660 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    4.6913     0.0000 
   C  15    1.0416     4.4557     0.0000 
   C  16    5.3321     1.8001     5.4329     0.0000 
   C  17    5.4329     1.0416     5.3321     1.0416     0.0000 
   C  18    1.7320     6.3530     2.0245     7.0641     7.1415     0.0000 
   H  19    1.4560     4.4240     2.3594     4.5620     4.9253     2.8754 
   H  20    2.3593     3.5670     1.4559     4.9253     4.5619     3.4292 
   H  21    4.5621     2.6893     4.9254     1.4559     2.3594     6.2533 
   H  22    4.9253     0.6200     4.5620     2.3593     1.4558     6.5265 
   H  23    1.4558     4.9658     0.6200     6.0219     5.8761     1.8116 
   H  24    5.8761     2.3593     6.0219     0.6200     1.4558     7.6059 
   H  25    1.5200     5.9390     1.5127     6.7771     6.7754     0.6200 
   H  26    2.2900     6.8125     2.3878     7.6082     7.6382     0.6200 
   H  27    2.1114     6.7984     2.5842     7.3921     7.5408     0.6200 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    3.3093     0.0000 
   H  21    3.5056     4.8209     0.0000 
   H  22    4.8209     3.5056     3.3093     0.0000 
   H  23    2.8788     1.6658     5.5440     5.0223     0.0000 
   H  24    5.0222     5.5439     1.6657     2.8787     6.6166     0.0000 
   H  25    2.8700     2.8577     6.0757     6.0699     1.2106     7.3405 
   H  26    3.4919     3.6941     6.8412     6.9466     2.0288     8.1610 
   H  27    3.0114     4.0151     6.4856     7.0083     2.4222     7.9111 

              H  25      H  26      H  27
              ---------------------------------
   H  25    0.0000 
   H  26    0.8768     0.0000 
   H  27    1.2399     0.8768     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0821840211
  Cl   2   -0.0834734416
   O   3   -0.4950900541
   N   4   -0.2465539639
   C   5    0.0227533930
   C   6    0.0193919756
   C   7    0.0733029424
   C   8    0.0744553816
   C   9    0.0593886998
   C  10   -0.0093607728
   C  11   -0.0322208919
   C  12   -0.0497683754
   C  13    0.1208285183
   C  14   -0.0173262137
   C  15   -0.0179124679
   C  16   -0.0426573560
   C  17    0.0430199560
   C  18    0.0787865241
   H  19    0.0661027701
   H  20    0.0640025448
   H  21    0.0624964847
   H  22    0.0653467314
   H  23    0.0654655765
   H  24    0.0632266042
   H  25    0.0659931520
   H  26    0.0659931520
   H  27    0.0659931520


BOND ANGLES
  13    3   18  Car   O3   C3    119.994
   7    4    8  Car  Nar  Car    119.999
   7    5    9  Car  Car  Car    120.001
   7    5   10  Car  Car  Car    120.884
   9    5   10  Car  Car  Car    119.116
   8    6    9  Car  Car  Car    120.001
   8    6   12  Car  Car  Car    120.886
   9    6   12  Car  Car  Car    119.113
   4    7    5  Nar  Car  Car    120.001
   4    7   11  Nar  Car  Car    119.120
   5    7   11  Car  Car  Car    120.879
   4    8    6  Nar  Car  Car    120.001
   4    8   14  Nar  Car  Car    119.118
   6    8   14  Car  Car  Car    120.882
   1    9    5   Cl  Car  Car    120.001
   1    9    6   Cl  Car  Car    120.001
   5    9    6  Car  Car  Car    119.999
   5   10   13  Car  Car  Car    119.556
   5   10   19  Car  Car   HC    120.218
  13   10   19  Car  Car   HC    120.225
   7   11   15  Car  Car  Car    119.566
   7   11   20  Car  Car   HC    120.214
  15   11   20  Car  Car   HC    120.221
   6   12   16  Car  Car  Car    119.554
   6   12   21  Car  Car   HC    120.230
  16   12   21  Car  Car   HC    120.216
   3   13   10   O3  Car  Car    120.213
   3   13   15   O3  Car  Car    120.227
  10   13   15  Car  Car  Car    119.560
   8   14   17  Car  Car  Car    119.563
   8   14   22  Car  Car   HC    120.226
  17   14   22  Car  Car   HC    120.211
  11   15   13  Car  Car  Car    119.555
  11   15   23  Car  Car   HC    120.220
  13   15   23  Car  Car   HC    120.225
  12   16   17  Car  Car  Car    119.560
  12   16   24  Car  Car   HC    120.215
  17   16   24  Car  Car   HC    120.225
   2   17   14   Cl  Car  Car    120.226
   2   17   16   Cl  Car  Car    120.219
  14   17   16  Car  Car  Car    119.555
   3   18   25   O3   C3   HC     90.002
   3   18   26   O3   C3   HC    179.974
   3   18   27   O3   C3   HC     89.998
  25   18   26   HC   C3   HC     90.000
  25   18   27   HC   C3   HC    179.974
  26   18   27   HC   C3   HC     90.000


TORSION ANGLES
  18    3   13   10    179.974
  18    3   13   15      0.026
  13    3   18   25      0.026
  13    3   18   26    179.974
  13    3   18   27    179.974
   8    4    7    5      0.026
   8    4    7   11    179.974
   7    4    8    6      0.026
   7    4    8   14    179.974
   9    5    7    4      0.026
   9    5    7   11    179.974
  10    5    7    4    179.974
  10    5    7   11      0.026
   7    5    9    1    179.974
   7    5    9    6      0.026
  10    5    9    1      0.026
  10    5    9    6    179.974
   7    5   10   13      0.026
   7    5   10   19    179.974
   9    5   10   13    179.974
   9    5   10   19      0.026
   9    6    8    4      0.026
   9    6    8   14    179.974
  12    6    8    4    179.974
  12    6    8   14      0.026
   8    6    9    1    179.974
   8    6    9    5      0.026
  12    6    9    1      0.026
  12    6    9    5    179.974
   8    6   12   16      0.026
   8    6   12   21    179.974
   9    6   12   16    179.974
   9    6   12   21      0.026
   4    7   11   15    179.974
   4    7   11   20      0.026
   5    7   11   15      0.026
   5    7   11   20    179.974
   4    8   14   17    179.974
   4    8   14   22      0.026
   6    8   14   17      0.026
   6    8   14   22    179.974
   5   10   13    3    179.974
   5   10   13   15      0.026
  19   10   13    3      0.026
  19   10   13   15    179.974
   7   11   15   13      0.026
   7   11   15   23    179.974
  20   11   15   13    179.974
  20   11   15   23      0.026
   6   12   16   17      0.026
   6   12   16   24    179.974
  21   12   16   17    179.974
  21   12   16   24      0.026
   3   13   15   11    179.974
   3   13   15   23      0.026
  10   13   15   11      0.026
  10   13   15   23    179.974
   8   14   17    2    179.974
   8   14   17   16      0.026
  22   14   17    2      0.026
  22   14   17   16    179.974
  12   16   17    2    179.974
  12   16   17   14      0.026
  24   16   17    2      0.026
  24   16   17   14    179.974