Sign In Join Free

Products Information

2,6-dichloro-3-nitropyridine
2,6-dichloro-3-nitropyridine ID: B184419
CAS:16013-85-7
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

Get a quote


SMILES:c1c(nc(cc1[N+](=O)[O-])Cl)Cl	
FORMULA: C5H2Cl2N2O2
MASS: 192.9876
EXACT MASS: 191.9493327
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    1.4876     1.2896     0.7450     0.0000 
   C   5    1.2856     1.4883     1.2904     0.7472     0.0000 
   C   6    0.7407     1.2869     1.4864     1.2891     0.7420     0.0000 
  Cl   7    2.2304     1.9688     1.2899     0.7428     1.2908     1.9677 
  Cl   8    1.2876     0.7427     1.2879     1.9687     2.2310     1.9648 
   N   9    1.2829     1.9639     2.2280     1.9667     1.2840     0.7416 
   O  10    1.9621     2.5737     2.6812     2.2335     1.4863     1.2868 
   O  11    1.4857     2.2298     2.6818     2.5801     1.9689     1.2910 

             Cl   7     Cl   8      N   9      O  10      O  11
              -------------------------------------------------------
  Cl   7    0.0000 
  Cl   8    2.5778     0.0000 
   N   9    2.5748     2.5705     0.0000 
   O  10    2.6846     3.2366     0.7413     0.0000 
   O  11    3.2451     2.6763     0.7486     1.2873     0.0000 



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


BOND ANGLES
   2    1    6  Car  Car  Car    120.161
   1    2    3  Car  Car  Nar    119.867
   3    2    8  Nar  Car   Cl    120.145
   1    2    8  Car  Car   Cl    119.988
   2    3    4  Car  Nar  Car    120.110
   5    4    7  Car  Car   Cl    120.062
   3    4    5  Nar  Car  Car    119.716
   3    4    7  Nar  Car   Cl    120.222
   4    5    6  Car  Car  Car    119.903
   5    6    9  Car  Car  Ntr    119.874
   1    6    9  Car  Car  Ntr    119.883
   1    6    5  Car  Car  Car    120.243
   6    9   10  Car  Ntr   O-    120.399
   6    9   11  Car  Ntr   O2    120.069
  10    9   11   O-  Ntr   O2    119.532


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