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1,1,3-Trichloroacetone
1,1,3-Trichloroacetone ID: API-42799
CAS:921-03-9
Supplier:APIchem

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SMILES:ClC(Cl)C(=O)CCl	ChemMol.com
FORMULA: C3H3Cl3O
MASS: 161.4143
EXACT MASS: 159.9249478
INTERATOMIC DISTANCES

             Cl   1     Cl   2     Cl   3      O   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
  Cl   2    1.7320     0.0000 
  Cl   3    3.4641     3.0000     0.0000 
   O   4    2.0000     2.6458     2.0000     0.0000 
   C   5    1.7321     1.7321     1.7320     1.0000     0.0000 
   C   6    1.0000     1.0000     2.6458     1.7321     1.0001     0.0000 
   C   7    2.6458     2.0000     1.0000     1.7320     1.0000     1.7321 
   H   8    0.8743     1.6200     2.6009     1.2347     0.8744     0.6200 
   H   9    2.4059     1.4332     1.5968     2.0295     1.0812     1.4155 
   H  10    3.1512     2.1944     1.0812     2.3450     1.5967     2.1829 

              C   7      H   8      H   9      H  10
              --------------------------------------------
   C   7    0.0000 
   H   8    1.8397     0.0000 
   H   9    0.6200     1.7254     0.0000 
   H  10    0.6199     2.3955     0.7971     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0962847384
  Cl   2   -0.0962847384
  Cl   3   -0.1172732553
   O   4   -0.2932995407
   C   5    0.1800343779
   C   6    0.1663850534
   C   7    0.0835717412
   H   8    0.0714376321
   H   9    0.0508567341
   H  10    0.0508567341


BOND ANGLES
   4    5    6   O2   C2   C3    119.998
   4    5    7   O2   C2   C3    120.001
   6    5    7   C3   C2   C3    120.001
   1    6    2   Cl   C3   Cl    120.001
   1    6    5   Cl   C3   C2    120.001
   1    6    8   Cl   C3   HC     59.999
   2    6    5   Cl   C3   C2    119.998
   2    6    8   Cl   C3   HC    179.974
   5    6    8   C2   C3   HC     60.002
   3    7    5   Cl   C3   C2    119.999
   3    7    9   Cl   C3   HC    160.009
   3    7   10   Cl   C3   HC     80.000
   5    7    9   C2   C3   HC     79.993
   5    7   10   C2   C3   HC    160.002
   9    7   10   HC   C3   HC     80.009


TORSION ANGLES
   4    5    6    1      0.026
   4    5    6    2    179.974
   4    5    6    8      0.026
   7    5    6    1    179.974
   7    5    6    2      0.026
   7    5    6    8    179.974
   4    5    7    3      0.026
   4    5    7    9    179.974
   4    5    7   10    179.974
   6    5    7    3    179.974
   6    5    7    9      0.026
   6    5    7   10      0.026