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4-(Chloromethyl)benzoyl chloride
4-(Chloromethyl)benzoyl chloride ID: API-42726
CAS:876-08-4
Supplier:APIchem

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SMILES:ClCc1ccc(cc1)C(=O)Cl	ChemMol.com
FORMULA: C8H6Cl2O
MASS: 189.0386
EXACT MASS: 187.9795702
INTERATOMIC DISTANCES

             Cl   1     Cl   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
  Cl   2    5.2915     0.0000 
   O   3    5.0000     1.7320     0.0000 
   C   4    1.7320     3.6055     3.6055     0.0000 
   C   5    2.6457     3.0000     3.4641     1.0000     0.0000 
   C   6    2.0000     3.4641     3.0000     1.0000     1.7320     0.0000 
   C   7    3.6055     1.7320     1.7320     2.0000     1.7320     1.7320 
   C   8    3.4641     2.0000     2.6457     1.7320     1.0000     2.0000 
   C   9    3.0000     2.6457     2.0000     1.7320     2.0000     1.0000 
   C  10    1.0000     4.5826     4.5826     1.0000     1.7320     1.7320 
   C  11    4.5826     1.0000     1.0000     3.0000     2.6457     2.6457 
   H  12    2.8292     3.3533     4.0130     1.4158     0.6201     2.2901 
   H  13    1.7732     4.0130     3.3533     1.4157     2.2900     0.6200 
   H  14    4.0130     1.7733     2.8292     2.2901     1.4158     2.6200 
   H  15    3.3533     2.8291     1.7732     2.2900     2.6199     1.4158 
   H  16    1.0813     5.1245     5.1957     1.5967     2.1828     2.3451 
   H  17    1.5968     4.3997     4.6339     1.0812     1.4155     2.0295 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    1.0000     1.7320     0.0000 
   C  10    3.0000     2.6457     2.6457     0.0000 
   C  11    1.0000     1.7320     1.7320     4.0000     0.0000 
   H  12    2.2901     1.4158     2.6200     1.8397     3.1408     0.0000 
   H  13    2.2900     2.6199     1.4158     1.8396     3.1407     2.8059 
   H  14    1.4158     0.6201     2.2901     3.1408     1.8397     1.6200 
   H  15    1.4157     2.2900     0.6200     3.1407     1.8396     3.2400 
   H  16    3.5889     3.1512     3.2657     0.6200     4.5875     2.1355 
   H  17    2.9561     2.4059     2.8113     0.6200     3.9399     1.3414 

              H  13      H  14      H  15      H  16      H  17
              -------------------------------------------------------
   H  13    0.0000 
   H  14    3.2400     0.0000 
   H  15    1.6200     2.8059     0.0000 
   H  16    2.3980     3.5955     3.7574     0.0000 
   H  17    2.2859     2.8161     3.3700     0.7971     0.0000 



ATOMIC CHARGES
  Cl   1   -0.1203968929
  Cl   2   -0.0382819348
   O   3   -0.2739818210
   C   4   -0.0327426574
   C   5   -0.0567422988
   C   6   -0.0567422988
   C   7    0.0335740828
   C   8   -0.0497520029
   C   9   -0.0497520029
   C  10    0.0476130532
   C  11    0.2523440854
   H  12    0.0620842970
   H  13    0.0620842970
   H  14    0.0624966416
   H  15    0.0624966416
   H  16    0.0478494055
   H  17    0.0478494055


BOND ANGLES
   5    4    6  Car  Car  Car    119.999
   5    4   10  Car  Car   C3    120.001
   6    4   10  Car  Car   C3    120.001
   4    5    8  Car  Car  Car    120.001
   4    5   12  Car  Car   HC    120.002
   8    5   12  Car  Car   HC    119.997
   4    6    9  Car  Car  Car    120.001
   4    6   13  Car  Car   HC    119.998
   9    6   13  Car  Car   HC    120.002
   8    7    9  Car  Car  Car    119.999
   8    7   11  Car  Car   C2    120.001
   9    7   11  Car  Car   C2    120.001
   5    8    7  Car  Car  Car    120.001
   5    8   14  Car  Car   HC    119.997
   7    8   14  Car  Car   HC    120.002
   6    9    7  Car  Car  Car    120.001
   6    9   15  Car  Car   HC    120.002
   7    9   15  Car  Car   HC    119.998
   1   10    4   Cl   C3  Car    120.001
   1   10   16   Cl   C3   HC     80.004
   1   10   17   Cl   C3   HC    160.002
   4   10   16  Car   C3   HC    159.996
   4   10   17  Car   C3   HC     79.997
  16   10   17   HC   C3   HC     79.999
   2   11    3   Cl   C2   O2    119.999
   2   11    7   Cl   C2  Car    120.001
   3   11    7   O2   C2  Car    120.001


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