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3,3-dichloroprop-1-ene
3,3-dichloroprop-1-ene ID: AN-23703
CAS:563-57-5
Supplier:AN PharmaTech Co Ltd

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SMILES:ClC(Cl)C=C	11244
FORMULA: C3H4Cl2
MASS: 110.9699
EXACT MASS: 109.9690055
INTERATOMIC DISTANCES

             Cl   1     Cl   2      C   3      C   4      C   5      H   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
  Cl   2    1.7320     0.0000 
   C   3    1.0000     1.0000     0.0000 
   C   4    1.7320     1.7320     1.0000     0.0000 
   C   5    2.6458     2.0000     1.7321     1.0001     0.0000 
   H   6    0.8743     1.6200     0.6200     0.8743     1.8397     0.0000 
   H   7    1.8396     2.2901     1.4158     0.6200     1.4158     1.0000 
   H   8    2.8292     1.7733     1.8397     1.4158     0.6200     2.1302 
   H   9    3.1408     2.6200     2.2901     1.4158     0.6200     2.2901 

              H   7      H   8      H   9
              ---------------------------------
   H   7    0.0000 
   H   8    1.9436     0.0000 
   H   9    1.6200     1.0739     0.0000 



ATOMIC CHARGES
  Cl   1   -0.1000376420
  Cl   2   -0.1000376420
   C   3    0.1256728298
   C   4   -0.0590462920
   C   5   -0.1001348803
   H   6    0.0678230672
   H   7    0.0592543737
   H   8    0.0532530928
   H   9    0.0532530928


BOND ANGLES
   1    3    2   Cl   C3   Cl    120.001
   1    3    4   Cl   C3   C2    119.999
   1    3    6   Cl   C3   HC     59.999
   2    3    4   Cl   C3   C2    120.001
   2    3    6   Cl   C3   HC    179.974
   4    3    6   C2   C3   HC     59.999
   3    4    5   C3   C2   C2    120.001
   3    4    7   C3   C2   HC    120.001
   5    4    7   C2   C2   HC    119.998
   4    5    8   C2   C2   HC    119.998
   4    5    9   C2   C2   HC    120.000
   8    5    9   HC   C2   HC    120.002


TORSION ANGLES
   1    3    4    5    179.974
   1    3    4    7      0.026
   2    3    4    5      0.026
   2    3    4    7    179.974
   6    3    4    5    179.974
   6    3    4    7      0.026
   3    4    5    8      0.026
   3    4    5    9    179.974
   7    4    5    8    179.974
   7    4    5    9      0.026