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1,1,3,3-Tetrachloroacetone
1,1,3,3-Tetrachloroacetone ID: 6861
CAS:632-21-3
Supplier:SYNCHEM OHG

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SMILES:C(C(=O)C(Cl)Cl)(Cl)Cl	
FORMULA: C3H2Cl4O
MASS: 195.8594
EXACT MASS: 193.8859754
INTERATOMIC DISTANCES

              C   1      C   2      C   3      O   4     Cl   5     Cl   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8249     0.0000 
   C   3    1.4289     0.8250     0.0000 
   O   4    1.4289     0.8250     1.4290     0.0000 
  Cl   5    0.8250     1.4289     2.1827     1.6500     0.0000 
  Cl   6    0.8250     1.4289     1.6500     2.1827     1.4290     0.0000 
  Cl   7    1.6500     1.4290     0.8250     2.1828     2.4750     1.4289 
  Cl   8    2.1827     1.4290     0.8250     1.6501     2.8579     2.4750 

             Cl   7     Cl   8
              ----------------------
  Cl   7    0.0000 
  Cl   8    1.4290     0.0000 



ATOMIC CHARGES
   C   1    0.2177010888
   C   2    0.2107921726
   C   3    0.2177010888
   O   4   -0.2908187813
  Cl   5   -0.0888438922
  Cl   6   -0.0888438922
  Cl   7   -0.0888438922
  Cl   8   -0.0888438922


BOND ANGLES
   6    1    5   Cl   C3   Cl    119.999
   2    1    5   C2   C3   Cl    119.999
   4    2    3   O2   C2   C3    119.999
   2    3    7   C2   C3   Cl    119.999
   2    3    8   C2   C3   Cl    120.002
   5    1    6   Cl   C3   Cl    119.999
   2    1    6   C2   C3   Cl    120.002
   5    1    2   Cl   C3   C2    119.999
   1    2    3   C3   C2   C3    119.999
   1    2    4   C3   C2   O2    120.002
   6    1    2   Cl   C3   C2    120.002
   1    2    3   C3   C2   C3    119.999
   1    2    4   C3   C2   O2    120.002
   8    3    7   Cl   C3   Cl    119.999
   3    2    4   C3   C2   O2    119.999
   7    3    8   Cl   C3   Cl    119.999


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


CHIRAL ATOMS
   C     1 is chiral: counterclockwise
   C     3 is chiral: counterclockwise