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2-Hydroxy-6-chloroquinoxaline
2-Hydroxy-6-chloroquinoxaline ID: API-45716
CAS:2427-71-6
Supplier:APIchem

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SMILES:Clc1cc2ncc(=O)[nH]c2cc1	ChemMol.com
FORMULA: C8H5ClN2O
MASS: 180.5911
EXACT MASS: 180.0090405
INTERATOMIC DISTANCES

             Cl   1      O   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   O   2    5.6381     0.0000 
   N   3    4.0693     1.7320     0.0000 
   N   4    3.5303     2.6457     2.0000     0.0000 
   C   5    3.0693     2.6458     1.0001     1.7321     0.0000 
   C   6    2.7152     3.0000     1.7321     1.0001     1.0000     0.0000 
   C   7    2.7152     3.4922     1.7603     2.6903     1.0416     1.7761 
   C   8    1.7702     4.0415     2.6902     1.7603     1.7760     1.0416 
   C   9    1.7701     4.4241     2.7088     3.0694     1.8001     2.0693 
   C  10    1.0000     4.6536     3.0694     2.7088     2.0693     1.8001 
   C  11    4.6529     1.0000     1.0000     1.7320     1.7321     2.0000 
   C  12    4.4273     1.7320     1.7320     1.0000     2.0000     1.7321 
   H  13    3.2148     3.5458     1.8711     3.1812     1.4559     2.3300 
   H  14    4.4106     1.8396     0.6200     2.6200     1.4158     2.2901 
   H  15    1.8859     4.3807     3.1811     1.8710     2.3299     1.4558 
   H  16    1.8858     4.9366     3.2062     3.6893     2.3593     2.6893 
   H  17    4.9377     1.8397     2.2900     1.4157     2.6200     2.2901 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.0693     0.0000 
   C   9    1.0417     1.8001     0.0000 
   C  10    1.8002     1.0416     1.0416     0.0000 
   C  11    2.6799     3.0415     3.5322     3.6767     0.0000 
   C  12    3.0416     2.6799     3.6767     3.5322     1.0000     0.0000 
   H  13    0.6200     2.6893     1.4560     2.3594     2.8621     3.3913 
   H  14    1.8548     3.1850     2.8838     3.4192     1.4158     2.2901 
   H  15    2.6893     0.6200     2.3593     1.4559     3.3912     2.8620 
   H  16    1.4559     2.3593     0.6200     1.4558     4.0814     4.2806 
   H  17    3.6615     3.1709     4.2811     4.0793     1.4158     0.6200 

              H  13      H  14      H  15      H  16      H  17
              -------------------------------------------------------
   H  13    0.0000 
   H  14    1.7531     0.0000 
   H  15    3.3093     3.7142     0.0000 
   H  16    1.6658     3.2971     2.8788     0.0000 
   H  17    4.0041     2.8059     3.2668     4.8890     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0834722193
   O   2   -0.2662421671
   N   3   -0.3196052560
   N   4   -0.2480968189
   C   5    0.0676939558
   C   6    0.0887196459
   C   7   -0.0348295479
   C   8   -0.0159564129
   C   9   -0.0413167102
   C  10    0.0431117018
   C  11    0.2673659215
   C  12    0.0925459775
   H  13    0.0639141802
   H  14    0.1690004312
   H  15    0.0653940771
   H  16    0.0632719980
   H  17    0.0885012432


BOND ANGLES
   5    3   11  Car  Nar  Car    120.001
   5    3   14  Car  Nar   HC    119.998
  11    3   14  Car  Nar   HC    120.001
   6    4   12  Car  Nar  Car    120.001
   3    5    6  Nar  Car  Car    119.998
   3    5    7  Nar  Car  Car    119.116
   6    5    7  Car  Car  Car    120.886
   4    6    5  Nar  Car  Car    119.998
   4    6    8  Nar  Car  Car    119.120
   5    6    8  Car  Car  Car    120.882
   5    7    9  Car  Car  Car    119.554
   5    7   13  Car  Car   HC    120.221
   9    7   13  Car  Car   HC    120.225
   6    8   10  Car  Car  Car    119.563
   6    8   15  Car  Car   HC    120.216
  10    8   15  Car  Car   HC    120.221
   7    9   10  Car  Car  Car    119.560
   7    9   16  Car  Car   HC    120.215
  10    9   16  Car  Car   HC    120.225
   1   10    8   Cl  Car  Car    120.226
   1   10    9   Cl  Car  Car    120.219
   8   10    9  Car  Car  Car    119.555
   2   11    3   O2  Car  Nar    119.999
   2   11   12   O2  Car  Car    120.001
   3   11   12  Nar  Car  Car    120.001
   4   12   11  Nar  Car  Car    120.001
   4   12   17  Nar  Car   HC    119.998
  11   12   17  Car  Car   HC    120.002


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