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6-Chlorohex-1-ene
6-Chlorohex-1-ene ID: API-42845
CAS:928-89-2
Supplier:APIchem

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SMILES:ClCCCCC=C	ChemMol.com
FORMULA: C6H11Cl
MASS: 118.6045
EXACT MASS: 118.0549280
INTERATOMIC DISTANCES

             Cl   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   C   2    2.6458     0.0000 
   C   3    1.7321     1.0000     0.0000 
   C   4    3.4642     1.0001     1.7321     0.0000 
   C   5    1.0001     1.7320     1.0000     2.6458     0.0000 
   C   6    4.3590     1.7321     2.6458     1.0000     3.4641     0.0000 
   C   7    5.1962     2.6458     3.4641     1.7320     4.3589     1.0000 
   H   8    3.1512     0.6199     1.5967     1.0812     2.1828     1.4156 
   H   9    2.4060     0.6199     1.0812     1.5968     1.4155     2.1829 
   H  10    1.4156     1.5967     0.6199     2.1829     1.0812     3.1512 
   H  11    2.1829     1.0812     0.6199     1.4156     1.5967     2.4060 
   H  12    3.1022     1.0812     1.4155     0.6200     2.4059     1.5968 
   H  13    3.8918     1.5968     2.1829     0.6199     3.1512     1.0812 
   H  14    1.5968     1.4155     1.0812     2.4060     0.6199     3.1022 
   H  15    1.0812     2.1829     1.5968     3.1513     0.6200     3.8918 
   H  16    4.4727     1.8397     2.8292     1.4158     3.5191     0.6200 
   H  17    5.2331     2.8292     3.5191     1.8396     4.4726     1.4158 
   H  18    5.7415     3.1408     4.0130     2.2900     4.8707     1.4157 

              C   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   H   8    2.4060     0.0000 
   H   9    3.1512     0.7970     0.0000 
   H  10    3.8917     2.2062     1.6887     0.0000 
   H  11    3.1022     1.6887     1.4514     0.7970     0.0000 
   H  12    2.1829     1.4514     1.6887     1.7320     0.9350     0.0000 
   H  13    1.4155     1.6888     2.2063     2.5291     1.7321     0.7971 
   H  14    4.0507     1.7320     0.9350     1.4514     1.6887     2.3120 
   H  15    4.8282     2.5291     1.7321     1.6888     2.2063     2.9752 
   H  16    1.4158     1.3415     2.1355     3.3946     2.7170     2.0354 
   H  17    0.6200     2.7170     3.3946     3.8653     3.0690     2.1355 
   H  18    0.6200     2.8161     3.5955     4.4690     3.6870     2.7806 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    2.9752     0.0000 
   H  15    3.6918     0.7971     0.0000 
   H  16    1.6620     3.0690     3.8654     0.0000 
   H  17    1.3414     4.2428     4.9904     1.9436     0.0000 
   H  18    2.0284     4.5177     5.3074     1.6199     1.0739     0.0000 




ATOMIC CHARGES
  Cl   1   -0.1254126487
   C   2   -0.0485587580
   C   3   -0.0392759687
   C   4   -0.0349774727
   C   5    0.0226107833
   C   6   -0.0911071056
   C   7   -0.1026304557
   H   8    0.0268562597
   H   9    0.0268562597
   H  10    0.0276622655
   H  11    0.0276622655
   H  12    0.0307241718
   H  13    0.0307241718
   H  14    0.0429437885
   H  15    0.0429437885
   H  16    0.0566298321
   H  17    0.0531744113
   H  18    0.0531744113


BOND ANGLES
   3    2    4   C3   C3   C3    120.001
   3    2    8   C3   C3   HC    160.002
   3    2    9   C3   C3   HC     80.000
   4    2    8   C3   C3   HC     79.997
   4    2    9   C3   C3   HC    159.999
   8    2    9   HC   C3   HC     80.002
   2    3    5   C3   C3   C3    119.999
   2    3   10   C3   C3   HC    160.002
   2    3   11   C3   C3   HC     80.000
   5    3   10   C3   C3   HC     80.000
   5    3   11   C3   C3   HC    160.002
  10    3   11   HC   C3   HC     80.002
   2    4    6   C3   C3   C2    120.001
   2    4   12   C3   C3   HC     79.990
   2    4   13   C3   C3   HC    159.999
   6    4   12   C2   C3   HC    160.009
   6    4   13   C2   C3   HC     80.000
  12    4   13   HC   C3   HC     80.009
   1    5    3   Cl   C3   C3    120.001
   1    5   14   Cl   C3   HC    159.999
   1    5   15   Cl   C3   HC     79.990
   3    5   14   C3   C3   HC     80.000
   3    5   15   C3   C3   HC    160.009
  14    5   15   HC   C3   HC     80.009
   4    6    7   C3   C2   C2    119.999
   4    6   16   C3   C2   HC    120.001
   7    6   16   C2   C2   HC    120.001
   6    7   17   C2   C2   HC    120.001
   6    7   18   C2   C2   HC    119.998
  17    7   18   HC   C2   HC    120.002


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