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2,4-Dichloro-6-methylquinoline
2,4-Dichloro-6-methylquinoline ID: API-28986
CAS:102878-18-2
Supplier:APIchem

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SMILES:Clc1c2c(nc(Cl)c1)ccc(c2)C	ChemMol.com
FORMULA: C10H7Cl2N
MASS: 212.0753
EXACT MASS: 210.9955546
INTERATOMIC DISTANCES

             Cl   1     Cl   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
  Cl   2    3.4641     0.0000 
   N   3    3.0000     1.7320     0.0000 
   C   4    1.7321     3.0000     1.7321     0.0000 
   C   5    2.6458     2.6458     1.0001     1.0000     0.0000 
   C   6    3.0490     4.6536     3.0694     1.8001     2.0693     0.0000 
   C   7    2.0073     4.0415     2.6903     1.0416     1.7761     1.0417 
   C   8    3.5080     3.4922     1.7603     1.7760     1.0416     1.8001 
   C   9    3.6691     4.4241     2.7088     2.0693     1.8001     1.0416 
   C  10    1.0000     2.6457     2.0000     1.0001     1.7321     2.7088 
   C  11    3.6626     5.6381     4.0694     2.7152     3.0693     1.0000 
   C  12    1.7320     1.7320     1.7320     1.7321     2.0000     3.5322 
   C  13    2.6457     1.0000     1.0000     2.0000     1.7321     3.6767 
   H  14    1.7865     4.3808     3.1812     1.4559     2.3300     1.4560 
   H  15    4.0532     3.5457     1.8710     2.3299     1.4558     2.3593 
   H  16    4.2751     4.9366     3.2062     2.6893     2.3593     1.4558 
   H  17    3.2481     5.5728     4.1121     2.5798     3.1265     1.1766 
   H  18    4.1197     6.2509     4.6893     3.3073     3.6892     1.6200 
   H  19    4.1289     5.7695     4.1204     2.9761     3.1359     1.1765 
   H  20    1.8396     1.8397     2.2900     2.2901     2.6200     4.0793 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.0693     0.0000 
   C   9    1.8002     1.0416     0.0000 
   C  10    1.7603     2.6902     3.0694     0.0000 
   C  11    1.7702     2.7152     1.7702     3.5303     0.0000 
   C  12    2.6799     3.0415     3.6767     1.0000     4.4273     0.0000 
   C  13    3.0416     2.6799     3.5322     1.7320     4.6529     1.0000 
   H  14    0.6200     2.6893     2.3594     1.8711     1.8859     2.8621 
   H  15    2.6893     0.6200     1.4559     3.1811     3.2148     3.3912 
   H  16    2.3594     1.4558     0.6200     3.6893     1.8859     4.2806 
   H  17    1.5498     2.9762     2.1527     3.2664     0.6200     4.2194 
   H  18    2.3255     3.3072     2.3255     4.0798     0.6199     5.0023 
   H  19    2.1527     2.5797     1.5497     3.8761     0.6200     4.7082 
   H  20    3.1709     3.6615     4.2811     1.4157     4.9377     0.6200 

              C  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   H  14    3.3913     0.0000 
   H  15    2.8620     3.3093     0.0000 
   H  16    4.0814     2.8788     1.6658     0.0000 
   H  17    4.5742     1.4684     3.5327     2.3929     0.0000 
   H  18    5.2626     2.3349     3.7809     2.3349     0.8768     0.0000 
   H  19    4.8108     2.3929     2.9930     1.4683     1.2400     0.8768 
   H  20    1.4158     3.2668     4.0041     4.8890     4.6815     5.4941 

              H  19      H  20
              ----------------------
   H  19    0.0000 
   H  20    5.2550     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0827684449
  Cl   2   -0.0619569419
   N   3   -0.2351729565
   C   4    0.0190361288
   C   5    0.0740570844
   C   6   -0.0497179451
   C   7   -0.0482438555
   C   8   -0.0353931346
   C   9   -0.0567947858
   C  10    0.0529895274
   C  11   -0.0396885932
   C  12   -0.0058504093
   C  13    0.1313028277
   H  14    0.0627153511
   H  15    0.0638976676
   H  16    0.0620847166
   H  17    0.0277535149
   H  18    0.0277535149
   H  19    0.0277535149
   H  20    0.0662432185


BOND ANGLES
   5    3   13  Car  Nar  Car    120.001
   5    4    7  Car  Car  Car    120.886
   5    4   10  Car  Car  Car    119.998
   7    4   10  Car  Car  Car    119.116
   3    5    4  Nar  Car  Car    119.998
   3    5    8  Nar  Car  Car    119.120
   4    5    8  Car  Car  Car    120.882
   7    6    9  Car  Car  Car    119.560
   7    6   11  Car  Car   C3    120.216
   9    6   11  Car  Car   C3    120.224
   4    7    6  Car  Car  Car    119.554
   4    7   14  Car  Car   HC    120.221
   6    7   14  Car  Car   HC    120.225
   5    8    9  Car  Car  Car    119.563
   5    8   15  Car  Car   HC    120.216
   9    8   15  Car  Car   HC    120.221
   6    9    8  Car  Car  Car    119.555
   6    9   16  Car  Car   HC    120.225
   8    9   16  Car  Car   HC    120.220
   1   10    4   Cl  Car  Car    119.998
   1   10   12   Cl  Car  Car    120.001
   4   10   12  Car  Car  Car    120.001
   6   11   17  Car   C3   HC     89.999
   6   11   18  Car   C3   HC    179.974
   6   11   19  Car   C3   HC     89.989
  17   11   18   HC   C3   HC     90.008
  17   11   19   HC   C3   HC    179.974
  18   11   19   HC   C3   HC     90.005
  10   12   13  Car  Car  Car    120.001
  10   12   20  Car  Car   HC    119.998
  13   12   20  Car  Car   HC    120.002
   2   13    3   Cl  Car  Nar    119.999
   2   13   12   Cl  Car  Car    120.001
   3   13   12  Nar  Car  Car    120.001


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