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2-Amino-6-chlorobenzoic acid
2-Amino-6-chlorobenzoic acid ID: API-45289
CAS:2148-56-3
Supplier:APIchem

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SMILES:Clc1c(c(N)ccc1)C(=O)O	ChemMol.com
FORMULA: C7H6ClNO2
MASS: 171.5810
EXACT MASS: 171.0087061
INTERATOMIC DISTANCES

             Cl   1      O   2      O   3      N   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   O   2    1.7320     0.0000 
   O   3    2.9999     1.7320     0.0000 
   N   4    3.4641     3.0000     1.7321     0.0000 
   C   5    1.7320     1.7320     1.7320     1.7321     0.0000 
   C   6    2.6457     2.6457     2.0000     1.0001     1.0000     0.0000 
   C   7    1.0000     2.0000     2.6457     2.6458     1.0000     1.7320 
   C   8    2.9999     3.4641     3.0000     1.7321     1.7320     1.0000 
   C   9    1.7320     3.0000     3.4641     3.0000     1.7320     2.0000 
   C  10    2.6457     3.6055     3.6055     2.6458     2.0000     1.7320 
   C  11    2.0000     1.0000     1.0000     2.0000     1.0000     1.7320 
   H  12    3.6200     4.0130     3.3533     1.8397     2.2901     1.4158 
   H  13    1.8397     3.3533     4.0130     3.6201     2.2901     2.6200 
   H  14    3.1407     4.2100     4.2100     3.1408     2.6200     2.2901 
   H  15    4.0130     3.6200     2.2901     0.6200     2.2901     1.4158 
   H  16    3.5191     2.7431     1.2347     0.6200     1.8397     1.4158 
   H  17    2.2901     0.6200     1.8396     3.3533     2.2901     3.1407 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.0000     0.0000 
   C   9    1.0000     1.7320     0.0000 
   C  10    1.7320     1.0000     1.0000     0.0000 
   C  11    1.7320     2.6457     2.6457     3.0000     0.0000 
   H  12    2.6200     0.6201     2.2901     1.4158     3.1408     0.0000 
   H  13    1.4158     2.2901     0.6201     1.4158     3.1408     2.8060 
   H  14    2.2901     1.4158     1.4158     0.6200     3.6200     1.6200 
   H  15    3.1408     1.8397     3.3533     2.8292     2.6200     1.7320 
   H  16    2.8292     2.2901     3.3533     3.1408     1.7733     2.4522 
   H  17    2.6200     4.0130     3.6200     4.2100     1.4158     4.5380 

              H  13      H  14      H  15      H  16      H  17
              -------------------------------------------------------
   H  13    0.0000 
   H  14    1.6200     0.0000 
   H  15    3.9666     3.2380     0.0000 
   H  16    3.9666     3.6739     1.0739     0.0000 
   H  17    3.9665     4.8185     3.9665     3.0000     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0826390091
   O   2   -0.4770510085
   O   3   -0.2450122666
   N   4   -0.3572912281
   C   5    0.0976101630
   C   6    0.0400944852
   C   7    0.0567113094
   C   8   -0.0401586109
   C   9   -0.0424717981
   C  10   -0.0586039829
   C  11    0.3400200491
   H  12    0.0636106387
   H  13    0.0632292971
   H  14    0.0618587747
   H  15    0.1423418583
   H  16    0.1423418583
   H  17    0.2954094703


BOND ANGLES
  11    2   17   C2   O3   HO    120.001
   6    4   15  Car  Npl   HC    120.000
   6    4   16  Car  Npl   HC    119.998
  15    4   16   HC  Npl   HC    120.002
   6    5    7  Car  Car  Car    119.999
   6    5   11  Car  Car   C2    120.001
   7    5   11  Car  Car   C2    120.001
   4    6    5  Npl  Car  Car    120.001
   4    6    8  Npl  Car  Car    119.998
   5    6    8  Car  Car  Car    120.001
   1    7    5   Cl  Car  Car    119.999
   1    7    9   Cl  Car  Car    120.001
   5    7    9  Car  Car  Car    120.001
   6    8   10  Car  Car  Car    120.001
   6    8   12  Car  Car   HC    119.997
  10    8   12  Car  Car   HC    120.002
   7    9   10  Car  Car  Car    120.001
   7    9   13  Car  Car   HC    119.997
  10    9   13  Car  Car   HC    120.002
   8   10    9  Car  Car  Car    119.999
   8   10   14  Car  Car   HC    120.001
   9   10   14  Car  Car   HC    120.001
   2   11    3   O3   C2   O2    119.999
   2   11    5   O3   C2  Car    120.001
   3   11    5   O2   C2  Car    120.001


TORSION ANGLES
  17    2   11    3      0.026
  17    2   11    5    179.974
  15    4    6    5    179.974
  15    4    6    8      0.026
  16    4    6    5      0.026
  16    4    6    8    179.974
   7    5    6    4    179.974
   7    5    6    8      0.026
  11    5    6    4      0.026
  11    5    6    8    179.974
   6    5    7    1    179.974
   6    5    7    9      0.026
  11    5    7    1      0.026
  11    5    7    9    179.974
   6    5   11    2    179.974
   6    5   11    3      0.026
   7    5   11    2      0.026
   7    5   11    3    179.974
   4    6    8   10    179.974
   4    6    8   12      0.026
   5    6    8   10      0.026
   5    6    8   12    179.974
   1    7    9   10    179.974
   1    7    9   13      0.026
   5    7    9   10      0.026
   5    7    9   13    179.974
   6    8   10    9      0.026
   6    8   10   14    179.974
  12    8   10    9    179.974
  12    8   10   14      0.026
   7    9   10    8      0.026
   7    9   10   14    179.974
  13    9   10    8    179.974
  13    9   10   14      0.026