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2,6-Dichloro-4-pyridinecarboxylic acid
2,6-Dichloro-4-pyridinecarboxylic acid ID: API-9475
CAS:5398-44-7
Supplier:APIchem

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SMILES:Clc1nc(Cl)cc(c1)C(=O)O	ChemMol.com
FORMULA: C6H3Cl2NO2
MASS: 191.9995
EXACT MASS: 190.9540837
INTERATOMIC DISTANCES

             Cl   1     Cl   2      O   3      O   4      N   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
  Cl   2    3.4641     0.0000 
   O   3    4.3589     3.6055     0.0000 
   O   4    3.6055     4.3589     1.7321     0.0000 
   N   5    1.7320     1.7321     3.6056     3.6055     0.0000 
   C   6    2.6457     2.6458     1.7321     1.7320     2.0000     0.0000 
   C   7    1.7320     3.0000     2.6458     2.0000     1.7320     1.0000 
   C   8    3.0000     1.7320     2.0000     2.6458     1.7321     1.0001 
   C   9    1.0000     2.6458     3.4641     3.0000     1.0000     1.7320 
   C  10    2.6458     1.0000     3.0000     3.4641     1.0001     1.7321 
   C  11    3.4641     3.4641     1.0001     1.0000     3.0000     1.0000 
   H  12    1.8397     3.6200     2.8292     1.7732     2.2900     1.4157 
   H  13    3.6200     1.8397     1.7732     2.8292     2.2901     1.4158 
   H  14    4.8708     4.2100     0.6200     1.8397     4.2101     2.2901 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7321     0.0000 
   C   9    1.0000     2.0000     0.0000 
   C  10    2.0000     1.0000     1.7321     0.0000 
   C  11    1.7320     1.7321     2.6457     2.6458     0.0000 
   H  12    0.6200     2.2901     1.4158     2.6200     1.8396     0.0000 
   H  13    2.2901     0.6200     2.6200     1.4158     1.8397     2.8059 
   H  14    3.1408     2.6200     4.0131     3.6200     1.4158     3.2380 

              H  13      H  14
              ----------------------
   H  13    0.0000 
   H  14    2.3716     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0619487108
  Cl   2   -0.0619487108
   O   3   -0.4771228189
   O   4   -0.2451281856
   N   5   -0.2237943480
   C   6    0.0645316403
   C   7   -0.0107342309
   C   8   -0.0107342309
   C   9    0.1316642977
   C  10    0.1316642977
   C  11    0.3369884112
   H  12    0.0655772142
   H  13    0.0655772142
   H  14    0.2954081605


BOND ANGLES
  11    3   14   C2   O3   HO    119.998
   9    5   10  Car  Nar  Car    120.001
   7    6    8  Car  Car  Car    120.001
   7    6   11  Car  Car   C2    120.001
   8    6   11  Car  Car   C2    119.998
   6    7    9  Car  Car  Car    120.001
   6    7   12  Car  Car   HC    119.998
   9    7   12  Car  Car   HC    120.002
   6    8   10  Car  Car  Car    119.998
   6    8   13  Car  Car   HC    120.000
  10    8   13  Car  Car   HC    120.002
   1    9    5   Cl  Car  Nar    119.999
   1    9    7   Cl  Car  Car    120.001
   5    9    7  Nar  Car  Car    120.001
   2   10    5   Cl  Car  Nar    120.001
   2   10    8   Cl  Car  Car    120.001
   5   10    8  Nar  Car  Car    119.998
   3   11    4   O3   C2   O2    120.001
   3   11    6   O3   C2  Car    119.998
   4   11    6   O2   C2  Car    120.001


TORSION ANGLES
  14    3   11    4      0.026
  14    3   11    6    179.974
  10    5    9    1    179.974
  10    5    9    7      0.026
   9    5   10    2    179.974
   9    5   10    8      0.026
   8    6    7    9      0.026
   8    6    7   12    179.974
  11    6    7    9    179.974
  11    6    7   12      0.026
   7    6    8   10      0.026
   7    6    8   13    179.974
  11    6    8   10    179.974
  11    6    8   13      0.026
   7    6   11    3    179.974
   7    6   11    4      0.026
   8    6   11    3      0.026
   8    6   11    4    179.974
   6    7    9    1    179.974
   6    7    9    5      0.026
  12    7    9    1      0.026
  12    7    9    5    179.974
   6    8   10    2    179.974
   6    8   10    5      0.026
  13    8   10    2      0.026
  13    8   10    5    179.974