Sign In Join Free

Products Information

2,4-Dichloro-6-methoxyquinazoline
2,4-Dichloro-6-methoxyquinazoline ID: API-28888
CAS:105763-77-7
Supplier:APIchem

Get a quote


SMILES:Clc1nc(Cl)nc2c1cc(OC)cc2	ChemMol.com
FORMULA: C9H6Cl2N2O
MASS: 229.0627
EXACT MASS: 227.9857182
INTERATOMIC DISTANCES

             Cl   1     Cl   2      O   3      N   4      N   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
  Cl   2    3.4641     0.0000 
   O   3    3.6626     5.6381     0.0000 
   N   4    3.0000     1.7320     4.0694     0.0000 
   N   5    1.7320     1.7320     4.4273     1.7320     0.0000 
   C   6    1.7321     3.0000     2.7152     1.7321     1.7321     0.0000 
   C   7    2.6458     2.6458     3.0693     1.0001     2.0000     1.0000 
   C   8    2.0073     4.0415     1.7702     2.6903     2.6799     1.0416 
   C   9    3.0490     4.6536     1.0000     3.0694     3.5322     1.8001 
   C  10    3.5080     3.4922     2.7152     1.7603     3.0415     1.7760 
   C  11    3.6691     4.4241     1.7702     2.7088     3.6767     2.0693 
   C  12    1.0000     2.6457     3.5303     2.0000     1.0000     1.0001 
   C  13    2.6457     1.0000     4.6529     1.0000     1.0000     2.0000 
   C  14    4.6381     6.3175     1.0000     4.6558     5.2642     3.5321 
   H  15    1.7865     4.3808     1.8859     3.1812     2.8621     1.4559 
   H  16    4.0532     3.5457     3.2148     1.8710     3.3912     2.3299 
   H  17    4.2751     4.9366     1.8859     3.2062     4.2806     2.6893 
   H  18    4.7979     6.7613     1.1765     5.1394     5.6006     3.8813 
   H  19    5.2475     6.7788     1.6199     5.0846     5.8090     4.0797 
   H  20    4.5577     5.9057     1.1766     4.2082     4.9824     3.2643 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7761     0.0000 
   C   9    2.0693     1.0417     0.0000 
   C  10    1.0416     2.0693     1.8001     0.0000 
   C  11    1.8001     1.8002     1.0416     1.0416     0.0000 
   C  12    1.7321     1.7603     2.7088     2.6902     3.0694     0.0000 
   C  13    1.7321     3.0416     3.6767     2.6799     3.5322     1.7320 
   C  14    3.6784     2.6864     1.7320     3.0659     2.0245     4.4234 
   H  15    2.3300     0.6200     1.4560     2.6893     2.3594     1.8711 
   H  16    1.4558     2.6893     2.3593     0.6200     1.4559     3.1811 
   H  17    2.3593     2.3594     1.4558     1.4558     0.6200     3.6893 
   H  18    4.1468     2.9462     2.1114     3.6180     2.5842     4.7065 
   H  19    4.1332     3.2791     2.2900     3.4149     2.3878     4.9975 
   H  20    3.2610     2.5539     1.5200     2.5453     1.5127     4.2132 

              C  13      C  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    5.3634     0.0000 
   H  15    3.3913     2.8754     0.0000 
   H  16    2.8620     3.4292     3.3093     0.0000 
   H  17    4.0814     1.8116     2.8788     1.6658     0.0000 
   H  18    5.7878     0.6200     3.0114     4.0151     2.4222     0.0000 
   H  19    5.8467     0.6200     3.4919     3.6941     2.0288     0.8768 
   H  20    4.9803     0.6200     2.8700     2.8577     1.2106     1.2399 

              H  19      H  20
              ----------------------
   H  19    0.0000 
   H  20    0.8768     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0612200247
  Cl   2   -0.0409977122
   O   3   -0.4950894122
   N   4   -0.2173287886
   N   5   -0.2051460373
   C   6    0.0407640341
   C   7    0.0773205562
   C   8   -0.0078780083
   C   9    0.1208767551
   C  10   -0.0320886663
   C  11   -0.0179101683
   C  12    0.1416907697
   C  13    0.2246194096
   C  14    0.0787865279
   H  15    0.0661515392
   H  16    0.0640041846
   H  17    0.0654655855
   H  18    0.0659931520
   H  19    0.0659931520
   H  20    0.0659931520


BOND ANGLES
   9    3   14  Car   O3   C3    119.994
   7    4   13  Car  Nar  Car    120.001
  12    5   13  Car  Nar  Car    120.001
   7    6    8  Car  Car  Car    120.886
   7    6   12  Car  Car  Car    119.998
   8    6   12  Car  Car  Car    119.116
   4    7    6  Nar  Car  Car    119.998
   4    7   10  Nar  Car  Car    119.120
   6    7   10  Car  Car  Car    120.882
   6    8    9  Car  Car  Car    119.554
   6    8   15  Car  Car   HC    120.221
   9    8   15  Car  Car   HC    120.225
   3    9    8   O3  Car  Car    120.216
   3    9   11   O3  Car  Car    120.224
   8    9   11  Car  Car  Car    119.560
   7   10   11  Car  Car  Car    119.563
   7   10   16  Car  Car   HC    120.216
  11   10   16  Car  Car   HC    120.221
   9   11   10  Car  Car  Car    119.555
   9   11   17  Car  Car   HC    120.225
  10   11   17  Car  Car   HC    120.220
   1   12    5   Cl  Car  Nar    120.001
   1   12    6   Cl  Car  Car    119.998
   5   12    6  Nar  Car  Car    120.001
   2   13    4   Cl  Car  Nar    119.999
   2   13    5   Cl  Car  Nar    120.001
   4   13    5  Nar  Car  Nar    120.001
   3   14   18   O3   C3   HC     89.996
   3   14   19   O3   C3   HC    179.974
   3   14   20   O3   C3   HC     90.004
  18   14   19   HC   C3   HC     90.000
  18   14   20   HC   C3   HC    179.974
  19   14   20   HC   C3   HC     90.000


TORSION ANGLES
  14    3    9    8    179.974
  14    3    9   11      0.026
   9    3   14   18    179.974
   9    3   14   19    179.974
   9    3   14   20      0.026
  13    4    7    6      0.026
  13    4    7   10    179.974
   7    4   13    2    179.974
   7    4   13    5      0.026
  13    5   12    1    179.974
  13    5   12    6      0.026
  12    5   13    2    179.974
  12    5   13    4      0.026
   8    6    7    4    179.974
   8    6    7   10      0.026
  12    6    7    4      0.026
  12    6    7   10    179.974
   7    6    8    9      0.026
   7    6    8   15    179.974
  12    6    8    9    179.974
  12    6    8   15      0.026
   7    6   12    1    179.974
   7    6   12    5      0.026
   8    6   12    1      0.026
   8    6   12    5    179.974
   4    7   10   11    179.974
   4    7   10   16      0.026
   6    7   10   11      0.026
   6    7   10   16    179.974
   6    8    9    3    179.974
   6    8    9   11      0.026
  15    8    9    3      0.026
  15    8    9   11    179.974
   3    9   11   10    179.974
   3    9   11   17      0.026
   8    9   11   10      0.026
   8    9   11   17    179.974
   7   10   11    9      0.026
   7   10   11   17    179.974
  16   10   11    9    179.974
  16   10   11   17      0.026