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3-Chlorocyclohexene
3-Chlorocyclohexene ID: API-45758
CAS:2441-97-6
Supplier:APIchem

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SMILES:ClC1CCCC=C1	ChemMol.com
FORMULA: C6H9Cl
MASS: 116.5887
EXACT MASS: 116.0392780
INTERATOMIC DISTANCES

             Cl   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   C   2    1.7320     0.0000 
   C   3    2.6457     1.0000     0.0000 
   C   4    1.0000     1.0000     1.7320     0.0000 
   C   5    3.0000     1.7320     1.0000     2.0000     0.0000 
   C   6    1.7320     1.7320     2.0000     1.0000     1.7320     0.0000 
   C   7    2.6457     2.0000     1.7320     1.7320     1.0000     1.0000 
   H   8    1.4155     0.6200     1.5967     1.0812     2.3451     2.0294 
   H   9    2.1829     0.6200     1.0812     1.5968     2.0295     2.3451 
   H  10    2.8113     1.0812     0.6200     2.0295     1.5968     2.5068 
   H  11    3.2657     1.5967     0.6200     2.3451     1.0812     2.5067 
   H  12    0.9341     1.8500     2.5045     0.8501     2.5343     0.9341 
   H  13    3.4978     2.0296     1.0813     2.5069     0.6200     2.3451 
   H  14    3.4978     2.3452     1.5968     2.5069     0.6201     2.0296 
   H  15    1.8397     2.2901     2.6200     1.4158     2.2901     0.6201 
   H  16    3.1408     2.6200     2.2901     2.2901     1.4158     1.4158 

              C   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   H   8    2.5067     0.0000 
   H   9    2.5068     0.7971     0.0000 
   H  10    2.3451     1.5278     0.7846     0.0000 
   H  11    2.0294     2.1652     1.5278     0.7971     0.0000 
   H  12    1.9294     1.8462     2.4419     2.8634     3.0951     0.0000 
   H  13    1.5967     2.6463     2.1562     1.5279     0.7847     3.1141 
   H  14    1.0812     2.9532     2.6464     2.1653     1.5278     2.9196 
   H  15    1.4158     2.4959     2.9097     3.1205     3.1205     0.9071 
   H  16    0.6201     3.1205     3.1205     2.9097     2.4959     2.3323 

              H  13      H  14      H  15      H  16
              --------------------------------------------
   H  13    0.0000 
   H  14    0.7971     0.0000 
   H  15    2.9097     2.4960     0.0000 
   H  16    1.9203     1.2046     1.6200     0.0000 



ATOMIC CHARGES
  Cl   1   -0.1173405491
   C   2   -0.0328772468
   C   3   -0.0480041955
   C   4    0.0520502404
   C   5   -0.0346635233
   C   6   -0.0704353099
   C   7   -0.0865648801
   H   8    0.0282400543
   H   9    0.0282400543
   H  10    0.0268746311
   H  11    0.0268746311
   H  12    0.0508654517
   H  13    0.0307331383
   H  14    0.0307331383
   H  15    0.0583352867
   H  16    0.0569390784


BOND ANGLES
   3    2    4   C3   C3   C3    120.001
   3    2    8   C3   C3   HC    160.004
   3    2    9   C3   C3   HC     79.997
   4    2    8   C3   C3   HC     79.995
   4    2    9   C3   C3   HC    160.002
   8    2    9   HC   C3   HC     80.007
   2    3    5   C3   C3   C3    120.001
   2    3   10   C3   C3   HC     79.997
   2    3   11   C3   C3   HC    160.004
   5    3   10   C3   C3   HC    160.002
   5    3   11   C3   C3   HC     79.995
  10    3   11   HC   C3   HC     80.007
   1    4    2   Cl   C3   C3    120.001
   1    4    6   Cl   C3   C2    120.001
   1    4   12   Cl   C3   HC     60.003
   2    4    6   C3   C3   C2    119.999
   2    4   12   C3   C3   HC    179.974
   6    4   12   C2   C3   HC     59.998
   3    5    7   C3   C3   C2    119.999
   3    5   13   C3   C3   HC     80.006
   3    5   14   C3   C3   HC    160.003
   7    5   13   C2   C3   HC    159.996
   7    5   14   C2   C3   HC     79.999
  13    5   14   HC   C3   HC     79.997
   4    6    7   C3   C2   C2    120.001
   4    6   15   C3   C2   HC    120.002
   7    6   15   C2   C2   HC    119.997
   5    7    6   C3   C2   C2    120.001
   5    7   16   C3   C2   HC    120.002
   6    7   16   C2   C2   HC    119.997


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


CHIRAL ATOMS
  15    6    7   16      0.026