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5-bromo-2-methyl-4-nitropyridine
5-bromo-2-methyl-4-nitropyridine
ID: Cs00353
Supplier:Clousem

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SMILES:c1(cnc(cc1[N+](=O)[O-])C)Br	
FORMULA: C6H5BrN2O2
MASS: 217.0201
EXACT MASS: 215.9534394
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5230     0.0000 
   N   3    2.6379     1.5230     0.0000 
   C   4    3.0460     2.6379     1.5230     0.0000 
   C   5    2.6379     3.0460     2.6379     1.5230     0.0000 
   C   6    1.5230     2.6379     3.0460     2.6379     1.5230     0.0000 
   N   7    2.6380     4.0296     4.5691     4.0296     2.6380     1.5231 
   O   8    3.0460     4.5690     5.4913     5.2758     4.0295     2.6379 
   O   9    4.0295     5.2758     5.4912     4.5690     3.0460     2.6379 
   C  10    4.5690     4.0295     2.6379     1.5230     2.6379     4.0295 
  Br  11    1.5230     2.6379     4.0295     4.5689     4.0294     2.6379 

              N   7      O   8      O   9      C  10     Br  11
              -------------------------------------------------------
   N   7    0.0000 
   O   8    1.5230     0.0000 
   O   9    1.5229     2.6379     0.0000 
   C  10    5.2759     6.6386     5.4913     0.0000 
  Br  11    3.0460     2.6379     4.5689     6.0920     0.0000 



ATOMIC CHARGES
   C   1    0.1228197895
   C   2    0.1112582505
   N   3   -0.2472091217
   C   4    0.0655418695
   C   5    0.0905134008
   C   6    0.2987105700
   N   7    0.0815280323
   O   8    0.0414984797
   O   9   -0.5759934624
   C  10    0.0523037910
  Br  11   -0.0409715991


BOND ANGLES
   2    1    6  Car  Car  Car    119.999
   2    1   11  Car  Car   Br    120.001
   6    1   11  Car  Car   Br    120.000
   1    2    3  Car  Car  Nar    119.999
   2    3    4  Car  Nar  Car    120.000
   3    4    5  Nar  Car  Car    120.001
   3    4   10  Nar  Car   C3    120.000
   5    4   10  Car  Car   C3    119.999
   4    5    6  Car  Car  Car    120.001
   1    6    5  Car  Car  Car    120.000
   5    6    7  Car  Car  Ntr    120.001
   1    6    7  Car  Car  Ntr    119.999
   6    7    8  Car  Ntr   O2    119.996
   6    7    9  Car  Ntr   O-    119.998
   8    7    9   O2  Ntr   O-    120.006


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