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2-CHLOROQUINOXALINE
2-CHLOROQUINOXALINE
ID: BP-12281
CAS:1448-87-9
Supplier:BroadPharm

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SMILES:n1c(cnc2c1cccc2)Cl	
FORMULA: C8H5ClN2
MASS: 164.5917
EXACT MASS: 164.0141258
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    2.8669     0.0000 
   C   3    1.4407     2.4858     0.0000 
   C   4    1.4207     2.4847     2.4805     0.0000 
   C   5    2.4715     1.4362     2.8647     1.4303     0.0000 
   C   6    2.4815     1.4353     1.4303     2.8619     2.4805     0.0000 
  Cl   7    2.4928     3.7937     1.4323     3.7896     4.2970     2.4793 
   C   8    2.4681     3.7912     3.7880     1.4310     2.4770     4.2929 
   C   9    3.7868     2.4798     4.3015     2.4890     1.4368     3.7900 
   C  10    3.7858     4.2967     4.9672     2.4867     2.8606     5.1637 
   C  11    4.2883     3.7880     5.1655     2.8676     2.4792     4.9596 

             Cl   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
  Cl   7    0.0000 
   C   8    4.9609     0.0000 
   C   9    5.7338     2.8730     0.0000 
   C  10    6.2508     1.4446     2.4799     0.0000 
   C  11    6.5655     2.4858     1.4336     1.4249     0.0000 



ATOMIC CHARGES
   N   1   -0.2308399552
   N   2   -0.2398274298
   C   3    0.1573694554
   C   4    0.0998687262
   C   5    0.0990053238
   C   6    0.1295115473
  Cl   7   -0.0596740578
   C   8    0.0206643430
   C   9    0.0206334628
   C  10    0.0016444928
   C  11    0.0016440915


BOND ANGLES
   3    1    4  Car  Nar  Car    120.194
   5    2    6  Car  Nar  Car    119.495
   1    3    6  Nar  Car  Car    119.609
   1    3    7  Nar  Car   Cl    120.374
   6    3    7  Car  Car   Cl    120.016
   1    4    5  Nar  Car  Car    120.197
   1    4    8  Nar  Car  Car    119.881
   5    4    8  Car  Car  Car    119.922
   2    5    4  Nar  Car  Car    120.179
   2    5    9  Nar  Car  Car    119.339
   4    5    9  Car  Car  Car    120.482
   2    6    3  Nar  Car  Car    120.326
   4    8   10  Car  Car  Car    119.717
   5    9   11  Car  Car  Car    119.466
   8   10   11  Car  Car  Car    120.059
   9   11   10  Car  Car  Car    120.355


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