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2-Hydroxy-5-nitro-3-picoline
2-Hydroxy-5-nitro-3-picoline ID: B184568
CAS:21901-34-8
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(cnc(c(c1)C)O)[N+](=O)[O-]	
FORMULA: C6H6N2O3
MASS: 154.1234
EXACT MASS: 154.0378421
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 
   O   7    2.2305     1.9688     1.2899     0.7428     1.2909     1.9677 
   C   8    1.9643     2.2310     1.9693     1.2903     0.7429     1.2866 
   N   9    0.7428     1.2867     1.9655     2.2305     1.9639     1.2848 
   O  10    1.2886     1.9680     2.5758     2.6821     2.2276     1.4857 
   O  11    1.2877     1.4858     2.2291     2.6811     2.5733     1.9643 

              O   7      C   8      N   9      O  10      O  11
              -------------------------------------------------------
   O   7    0.0000 
   C   8    1.4905     0.0000 
   N   9    2.9733     2.5714     0.0000 
   O  10    3.4075     2.6761     0.7452     0.0000 
   O  11    3.4072     3.2376     0.7435     1.2888     0.0000 



ATOMIC CHARGES
   C   1    0.3089029470
   C   2    0.1771752445
   N   3   -0.2001182834
   C   4    0.2755984020
   C   5    0.0421068803
   C   6    0.0774650284
   O   7   -0.2655396605
   C   8    0.0362942902
   N   9    0.0825486449
   O  10   -0.5759661965
   O  11    0.0415327033


BOND ANGLES
   2    1    9  Car  Car  Ntr    119.852
   2    1    6  Car  Car  Car    120.149
   6    1    9  Car  Car  Ntr    119.998
   1    2    3  Car  Car  Nar    119.874
   2    3    4  Car  Nar  Car    120.117
   3    4    7  Nar  Car   O3    120.229
   5    4    7  Car  Car   O3    120.070
   3    4    5  Nar  Car  Car    119.702
   4    5    8  Car  Car   C3    119.970
   6    5    8  Car  Car   C3    120.115
   4    5    6  Car  Car  Car    119.915
   1    6    5  Car  Car  Car    120.243
   1    9   10  Car  Ntr   O-    119.991
   1    9   11  Car  Ntr   O2    120.077
  10    9   11   O-  Ntr   O2    119.932


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