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5-Bromo-2-chloro-3-nitropyridine
5-Bromo-2-chloro-3-nitropyridine ID: B184517
CAS:67443-38-3
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(cnc(c(c1)[N+](=O)[O-])Cl)Br	
FORMULA: C5H2BrClN2O2
MASS: 237.4386
EXACT MASS: 235.8988170
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7440     0.0000 
   N   3    1.2872     0.7433     0.0000 
   C   4    1.4877     1.2896     0.7449     0.0000 
   C   5    1.2856     1.4881     1.2903     0.7472     0.0000 
   C   6    0.7408     1.2868     1.4863     1.2891     0.7419     0.0000 
  Cl   7    2.2305     1.9688     1.2899     0.7428     1.2909     1.9677 
  Br   8    0.7428     1.2867     1.9655     2.2305     1.9639     1.2848 
   N   9    1.9643     2.2310     1.9693     1.2903     0.7429     1.2866 
   O  10    2.5741     2.6837     2.2357     1.4909     1.2885     1.9662 
   O  11    2.2284     2.6817     2.5782     1.9706     1.2879     1.4876 

             Cl   7     Br   8      N   9      O  10      O  11
              -------------------------------------------------------
  Cl   7    0.0000 
  Br   8    2.9733     0.0000 
   N   9    1.4905     2.5714     0.0000 
   O  10    1.2946     3.2378     0.7428     0.0000 
   O  11    2.2344     2.6768     0.7439     1.2853     0.0000 



ATOMIC CHARGES
   C   1    0.0598881737
   C   2    0.1068936803
   N   3   -0.2263051114
   C   4    0.2081407642
   C   5    0.3185064563
   C   6    0.0860837797
  Cl   7   -0.0550893931
  Br   8   -0.0471739064
   N   9    0.0834377367
   O  10   -0.5759434439
   O  11    0.0415612640


BOND ANGLES
   2    1    8  Car  Car   Br    119.852
   6    1    8  Car  Car   Br    119.998
   2    1    6  Car  Car  Car    120.149
   1    2    3  Car  Car  Nar    119.874
   2    3    4  Car  Nar  Car    120.117
   3    4    7  Nar  Car   Cl    120.229
   5    4    7  Car  Car   Cl    120.070
   3    4    5  Nar  Car  Car    119.702
   4    5    9  Car  Car  Ntr    119.970
   6    5    9  Car  Car  Ntr    120.115
   4    5    6  Car  Car  Car    119.915
   1    6    5  Car  Car  Car    120.243
   5    9   10  Car  Ntr   O-    120.295
   5    9   11  Car  Ntr   O2    120.046
  10    9   11   O-  Ntr   O2    119.659


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    1    2    3    179.974
   6    1    2    3      0.026
   2    3    4    7    179.974
   2    3    4    5      0.026
   7    4    5    9      0.026
   7    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    8    179.974
   5    6    1    2      0.026