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1-Chlorocyclohexene
1-Chlorocyclohexene ID: API-42868
CAS:930-66-5
Supplier:APIchem

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SMILES:ClC1=CCCCC1	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    2.6457     0.0000 
   C   3    3.0000     1.0000     0.0000 
   C   4    1.7320     1.0000     1.7320     0.0000 
   C   5    2.6457     1.7320     1.0000     2.0000     0.0000 
   C   6    1.0000     1.7320     2.0000     1.0000     1.7320     0.0000 
   C   7    1.7320     2.0000     1.7320     1.7320     1.0000     1.0000 
   H   8    2.8113     0.6200     1.5968     1.0812     2.3451     2.0295 
   H   9    3.2657     0.6200     1.0812     1.5967     2.0294     2.3451 
   H  10    3.4978     1.0813     0.6200     2.0296     1.5967     2.5069 
   H  11    3.4978     1.5968     0.6201     2.3452     1.0812     2.5069 
   H  12    1.4155     1.5967     2.3451     0.6200     2.5067     1.0812 
   H  13    2.1829     1.0812     2.0295     0.6200     2.5068     1.5968 
   H  14    3.2657     2.0295     1.0813     2.5068     0.6200     2.3451 
   H  15    2.8113     2.3451     1.5968     2.5068     0.6200     2.0295 
   H  16    1.8397     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    2.5068     0.0000 
   H   9    2.5067     0.7971     0.0000 
   H  10    2.3451     1.5279     0.7847     0.0000 
   H  11    2.0296     2.1653     1.5278     0.7971     0.0000 
   H  12    2.0294     1.5278     2.1652     2.6463     2.9532     0.0000 
   H  13    2.3451     0.7846     1.5278     2.1562     2.6464     0.7971 
   H  14    1.5967     2.6463     2.1561     1.5278     0.7847     3.0556 
   H  15    1.0812     2.9532     2.6462     2.1652     1.5278     2.9498 
   H  16    0.6201     3.1205     3.1205     2.9097     2.4960     2.4959 

              H  13      H  14      H  15      H  16
              --------------------------------------------
   H  13    0.0000 
   H  14    2.9499     0.0000 
   H  15    3.0556     0.7971     0.0000 
   H  16    2.9097     1.9203     1.2046     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0885425363
   C   2   -0.0479862783
   C   3   -0.0492513942
   C   4   -0.0173159870
   C   5   -0.0333972855
   C   6    0.0146117430
   C   7   -0.0697160016
   H   8    0.0268742407
   H   9    0.0268742407
   H  10    0.0268319457
   H  11    0.0268319457
   H  12    0.0321570513
   H  13    0.0321570513
   H  14    0.0307749450
   H  15    0.0307749450
   H  16    0.0583213747


BOND ANGLES
   3    2    4   C3   C3   C3    120.001
   3    2    8   C3   C3   HC    160.002
   3    2    9   C3   C3   HC     79.995
   4    2    8   C3   C3   HC     79.997
   4    2    9   C3   C3   HC    160.004
   8    2    9   HC   C3   HC     80.007
   2    3    5   C3   C3   C3    119.999
   2    3   10   C3   C3   HC     80.006
   2    3   11   C3   C3   HC    160.003
   5    3   10   C3   C3   HC    159.996
   5    3   11   C3   C3   HC     79.999
  10    3   11   HC   C3   HC     79.997
   2    4    6   C3   C3   C2    120.001
   2    4   12   C3   C3   HC    160.004
   2    4   13   C3   C3   HC     79.997
   6    4   12   C2   C3   HC     79.995
   6    4   13   C2   C3   HC    160.002
  12    4   13   HC   C3   HC     80.007
   3    5    7   C3   C3   C2    120.001
   3    5   14   C3   C3   HC     80.004
   3    5   15   C3   C3   HC    160.002
   7    5   14   C2   C3   HC    159.996
   7    5   15   C2   C3   HC     79.997
  14    5   15   HC   C3   HC     79.999
   1    6    4   Cl   C2   C3    120.001
   1    6    7   Cl   C2   C2    120.001
   4    6    7   C3   C2   C2    119.999
   5    7    6   C3   C2   C2    120.001
   5    7   16   C3   C2   HC    119.997
   6    7   16   C2   C2   HC    120.002


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