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2,6-Dichloro-4-nitropyridine
2,6-Dichloro-4-nitropyridine ID: B204112
CAS:25194-01-8
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(cc(cc(n1)Cl)[N+](=O)[O-])Cl	
FORMULA: C5H2Cl2N2O2
MASS: 192.9876
EXACT MASS: 191.9493327
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.5882     0.0000 
   C   3    1.0167     0.5882     0.0000 
   C   4    1.1742     1.0192     0.5875     0.0000 
   C   5    1.0155     1.1750     1.0155     0.5860     0.0000 
   N   6    0.5875     1.0192     1.1742     1.0167     0.5861     0.0000 
   N   7    1.5534     1.0166     0.5882     1.0192     1.5537     1.7624 
   O   8    1.7624     1.1742     1.0192     1.5563     2.0347     2.1188 
   O   9    2.0334     1.5534     1.0167     1.1742     1.7602     2.1166 
  Cl  10    1.5522     1.7625     1.5522     1.0155     0.5875     1.0155 
  Cl  11    0.5918     1.0209     1.5576     1.7660     1.5566     1.0213 

              N   7      O   8      O   9     Cl  10     Cl  11
              -------------------------------------------------------
   N   7    0.0000 
   O   8    0.5875     0.0000 
   O   9    0.5882     1.0192     0.0000 
  Cl  10    2.0347     2.5605     2.1158     0.0000 
  Cl  11    2.0375     2.1205     2.5630     2.0368     0.0000 



ATOMIC CHARGES
   C   1    0.1454061757
   C   2    0.1060579066
   C   3    0.2948302607
   C   4    0.1060579066
   C   5    0.1454061757
   N   6   -0.2221360996
   N   7    0.0810813028
   O   8    0.0414830928
   O   9   -0.5760057213
  Cl  10   -0.0610904999
  Cl  11   -0.0610904999


BOND ANGLES
   2    1    6  Car  Car  Nar    120.200
   2    1   11  Car  Car   Cl    119.799
   6    1   11  Nar  Car   Cl    120.001
   1    2    3  Car  Car  Car    119.594
   2    3    4  Car  Car  Car    120.205
   2    3    7  Car  Car  Ntr    119.590
   4    3    7  Car  Car  Ntr    120.205
   3    4    5  Car  Car  Car    119.842
   4    5    6  Car  Car  Nar    120.321
   4    5   10  Car  Car   Cl    119.842
   6    5   10  Nar  Car   Cl    119.837
   1    6    5  Car  Nar  Car    119.837
   8    7    9   O2  Ntr   O-    120.200
   3    7    8  Car  Ntr   O2    120.205
   3    7    9  Car  Ntr   O-    119.594


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