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3-CHLORO-2-HYDROXY-5-NITROPYRIDINE
3-CHLORO-2-HYDROXY-5-NITROPYRIDINE ID: API-9410
CAS:22353-38-4
Supplier:APIchem

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SMILES:Clc1cc([N+](=O)[O-])c[nH]c1=O	ChemMol.com
FORMULA: C5H3ClN2O3
MASS: 174.5419
EXACT MASS: 173.9832196
INTERATOMIC DISTANCES

             Cl   1      O   2      O   3      O   4      N   5      N   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   O   2    2.0000     0.0000 
   O   3    3.6055     4.5826     0.0000 
   O   4    4.3589     4.5826     1.7320     0.0000 
   N   5    2.6457     1.7320     3.4641     3.0000     0.0000 
   N   6    3.4641     4.0000     1.0000     1.0000     2.6458     0.0000 
   C   7    2.6458     3.0000     1.7320     1.7320     1.7321     1.0000 
   C   8    1.7320     2.6457     2.0000     2.6458     2.0000     1.7321 
   C   9    3.0000     2.6458     2.6457     2.0000     1.0001     1.7320 
   C  10    1.0000     1.7320     3.0000     3.4641     1.7320     2.6458 
   C  11    1.7320     1.0000     3.6056     3.6055     1.0000     3.0000 
   H  12    1.8396     3.1407     1.7733     2.8292     2.6200     1.8397 
   H  13    3.6200     3.1408     2.8292     1.7732     1.4158     1.8397 
   H  14    3.1407     1.8396     4.0131     3.3533     0.6200     3.1408 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0001     0.0000 
   C   9    1.0000     1.7321     0.0000 
   C  10    1.7321     1.0000     2.0000     0.0000 
   C  11    2.0000     1.7320     1.7321     1.0000     0.0000 
   H  12    1.4158     0.6200     2.2901     1.4158     2.2901     0.0000 
   H  13    1.4158     2.2901     0.6200     2.6200     2.2901     2.8059 
   H  14    2.2901     2.6200     1.4158     2.2901     1.4158     3.2400 

              H  13      H  14
              ----------------------
   H  13    0.0000 
   H  14    1.6200     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0777149836
   O   2   -0.2663147468
   O   3   -0.5759993110
   O   4    0.0414911308
   N   5   -0.3219572524
   N   6    0.0811505569
   C   7    0.2904827269
   C   8    0.0406445946
   C   9    0.0826580097
   C  10    0.1115363400
   C  11    0.2675208750
   H  12    0.0702197599
   H  13    0.0877026463
   H  14    0.1685796536


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


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