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5-Bromo-2-hydroxy-3-nitropyridine
5-Bromo-2-hydroxy-3-nitropyridine ID: B184537
CAS:15862-34-7
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(cnc(c(c1)[N+](=O)[O-])O)Br	
FORMULA: C5H3BrN2O3
MASS: 218.9929
EXACT MASS: 217.9327040
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7441     0.0000 
   N   3    1.2873     0.7433     0.0000 
   C   4    1.4912     1.2938     0.7486     0.0000 
   C   5    1.2897     1.4918     1.2924     0.7472     0.0000 
   C   6    0.7407     1.2869     1.4864     1.2912     0.7456     0.0000 
  Br   7    0.7428     1.2867     1.9655     2.2341     1.9680     1.2848 
   O   8    2.2340     1.9725     1.2935     0.7428     1.2913     1.9708 
   N   9    1.9679     2.2347     1.9724     1.2907     0.7428     1.2903 
   O  10    2.5776     2.6874     2.2393     1.4907     1.2879     1.9696 
   O  11    2.2300     2.6831     2.5791     1.9697     1.2867     1.4893 

             Br   7      O   8      N   9      O  10      O  11
              -------------------------------------------------------
  Br   7    0.0000 
   O   8    2.9768     0.0000 
   N   9    2.5751     1.4922     0.0000 
   O  10    3.2413     1.2960     0.7427     0.0000 
   O  11    2.6788     2.2351     0.7429     1.2853     0.0000 



ATOMIC CHARGES
   C   1    0.0600505762
   C   2    0.1092389635
   N   3   -0.2005629899
   C   4    0.3488302617
   C   5    0.3475039688
   C   6    0.0887371888
  Br   7   -0.0471718074
   O   8   -0.2584077506
   N   9    0.0860167536
   O  10   -0.5758782571
   O  11    0.0416430924


BOND ANGLES
   6    1    7  Car  Car   Br    120.005
   2    1    7  Car  Car   Br    119.834
   2    1    6  Car  Car  Car    120.161
   1    2    3  Car  Car  Nar    119.867
   2    3    4  Car  Nar  Car    120.270
   5    4    8  Car  Car   O3    120.153
   3    4    5  Nar  Car  Car    119.548
   3    4    8  Nar  Car   O3    120.299
   4    5    9  Car  Car  Ntr    120.043
   6    5    9  Car  Car  Ntr    120.202
   4    5    6  Car  Car  Car    119.755
   1    6    5  Car  Car  Car    120.399
   5    9   10  Car  Ntr   O-    120.212
   5    9   11  Car  Ntr   O2    119.995
  10    9   11   O-  Ntr   O2    119.793


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