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2-Chloroacrylonitrile
2-Chloroacrylonitrile ID: API-42794
CAS:920-37-6
Supplier:APIchem

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SMILES:ClC(=C)C#N	ChemMol.com
FORMULA: C3H2ClN
MASS: 87.5077
EXACT MASS: 86.9875767
INTERATOMIC DISTANCES

             Cl   1      N   2      C   3      C   4      C   5      H   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   N   2    2.6458     0.0000 
   C   3    1.0000     2.0000     0.0000 
   C   4    1.7320     2.6458     1.0000     0.0000 
   C   5    1.7320     1.0001     1.0000     1.7320     0.0000 
   H   6    1.8397     3.2380     1.4158     0.6200     2.2900     0.0000 
   H   7    2.2901     2.6008     1.4158     0.6201     1.8397     1.0739 

              H   7
              -----------
   H   7    0.0000 



ATOMIC CHARGES
  Cl   1   -0.0724032173
   N   2   -0.1899882070
   C   3    0.1103066513
   C   4   -0.0698528917
   C   5    0.1107211933
   H   6    0.0556082357
   H   7    0.0556082357


BOND ANGLES
   1    3    4   Cl   C2   C2    120.001
   1    3    5   Cl   C2   C1    119.999
   4    3    5   C2   C2   C1    120.001
   3    4    6   C2   C2   HC    120.002
   3    4    7   C2   C2   HC    119.997
   6    4    7   HC   C2   HC    120.001
   2    5    3   N1   C1   C2    179.974


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