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2,3-dichloropropanoic acid
2,3-dichloropropanoic acid ID: AN-45964
CAS:565-64-0
Supplier:AN PharmaTech Co Ltd

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SMILES:ClC(CCl)C(=O)O	11263
FORMULA: C3H4Cl2O2
MASS: 142.9687
EXACT MASS: 141.9588347
INTERATOMIC DISTANCES

             Cl   1     Cl   2      O   3      O   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
  Cl   2    2.0000     0.0000 
   O   3    2.0000     3.4641     0.0000 
   O   4    2.6458     3.0000     1.7320     0.0000 
   C   5    1.0000     1.7320     1.7321     1.7321     0.0000 
   C   6    1.7320     1.0000     2.6458     2.0000     1.0000     0.0000 
   C   7    1.7321     2.6458     1.0000     1.0000     1.0001     1.7321 
   H   8    0.9341     2.5045     1.0828     1.9294     0.8501     1.8500 
   H   9    2.0295     1.5968     2.4059     1.4332     1.0812     0.6200 
   H  10    2.3450     1.0812     3.1512     2.1944     1.5967     0.6199 
   H  11    2.6200     4.0130     0.6200     1.8396     2.2901     3.1408 

              C   7      H   8      H   9      H  10      H  11
              -------------------------------------------------------
   C   7    0.0000 
   H   8    0.9341     0.0000 
   H   9    1.4155     1.8462     0.0000 
   H  10    2.1829     2.4418     0.7971     0.0000 
   H  11    1.4157     1.6999     2.8160     3.5955     0.0000 



ATOMIC CHARGES
  Cl   1   -0.1086177458
  Cl   2   -0.1233490198
   O   3   -0.4795726837
   O   4   -0.2493200035
   C   5    0.1436491085
   C   6    0.0491606925
   C   7    0.3238252742
   H   8    0.0592672838
   H   9    0.0449293694
   H  10    0.0449293694
   H  11    0.2950983549


BOND ANGLES
   7    3   11   C2   O3   HO    119.998
   1    5    6   Cl   C3   C3    120.001
   1    5    7   Cl   C3   C2    119.998
   1    5    8   Cl   C3   HC     60.003
   6    5    7   C3   C3   C2    120.001
   6    5    8   C3   C3   HC    179.974
   7    5    8   C2   C3   HC     59.995
   2    6    5   Cl   C3   C3    119.999
   2    6    9   Cl   C3   HC    160.009
   2    6   10   Cl   C3   HC     80.000
   5    6    9   C3   C3   HC     79.993
   5    6   10   C3   C3   HC    160.002
   9    6   10   HC   C3   HC     80.009
   3    7    4   O3   C2   O2    120.001
   3    7    5   O3   C2   C3    120.001
   4    7    5   O2   C2   C3    119.998


TORSION ANGLES
  11    3    7    4      0.026
  11    3    7    5    179.974
   1    5    6    2      0.026
   1    5    6    9    179.974
   1    5    6   10    179.974
   7    5    6    2    179.974
   7    5    6    9      0.026
   7    5    6   10      0.026
   8    5    6    2    179.974
   8    5    6    9      0.026
   8    5    6   10      0.026
   1    5    7    3      0.026
   1    5    7    4    179.974
   6    5    7    3    179.974
   6    5    7    4      0.026
   8    5    7    3      0.026
   8    5    7    4    179.974


CHIRAL ATOMS
   8    5    7    4    179.974