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(2-nitrophenyl)hydrazine hydrochloride
(2-nitrophenyl)hydrazine hydrochloride ID: AN-40145
CAS:56413-75-3
Supplier:AN PharmaTech Co Ltd

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SMILES:Cl.[O-][N+](=O)c1c(NN)cccc1	5743520
FORMULA: C6H8ClN3O2
MASS: 189.5996
EXACT MASS: 189.0305042
INTERATOMIC DISTANCES

             Cl   1      O   2      O   3      N   4      N   5      N   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   O   2    4.8576     0.0000 
   O   3    6.1528     1.7320     0.0000 
   N   4    6.2176     3.0000     1.7321     0.0000 
   N   5    5.1592     1.0000     1.0000     2.0000     0.0000 
   N   6    6.9051     4.0000     2.6458     1.0000     3.0000     0.0000 
   C   7    5.2363     2.6458     2.0000     1.0000     1.7321     1.7320 
   C   8    4.6258     1.7320     1.7320     1.7321     1.0000     2.6458 
   C   9    5.0200     3.4641     3.0000     1.7320     2.6458     2.0000 
   C  10    3.6274     2.0000     2.6457     2.6458     1.7320     3.4641 
   C  11    4.1183     3.6055     3.6056     2.6457     3.0000     3.0000 
   C  12    3.3074     3.0000     3.4641     3.0000     2.6458     3.6055 
   H  13    5.5279     4.0130     3.3533     1.8396     3.1408     1.7732 
   H  14    3.3241     1.7732     2.8292     3.1408     1.8397     4.0130 
   H  15    4.1483     4.2100     4.2100     3.1407     3.6200     3.3533 
   H  16    2.7303     3.3533     4.0131     3.6200     3.1408     4.2100 
   H  17    6.4544     2.7430     1.2347     0.6201     1.7732     1.4158 
   H  18    7.5016     4.3433     2.8292     1.4158     3.3533     0.6200 
   H  19    6.7874     4.3433     3.1408     1.4157     3.3533     0.6200 
   H  20    1.0000     5.2533     6.3345     6.1208     5.3746     6.6898 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0001     0.0000 
   C   9    1.0000     1.7321     0.0000 
   C  10    1.7321     1.0000     2.0000     0.0000 
   C  11    1.7320     2.0000     1.0000     1.7321     0.0000 
   C  12    2.0000     1.7321     1.7320     1.0001     1.0000     0.0000 
   H  13    1.4157     2.2901     0.6200     2.6200     1.4158     2.2900 
   H  14    2.2901     1.4158     2.6200     0.6200     2.2901     1.4158 
   H  15    2.2900     2.6200     1.4158     2.2901     0.6200     1.4157 
   H  16    2.6200     2.2901     2.2901     1.4158     1.4158     0.6200 
   H  17    1.4158     1.8397     2.2901     2.8292     3.1408     3.3533 
   H  18    2.2901     3.1408     2.6200     4.0131     3.6200     4.2100 
   H  19    1.8396     2.8292     1.7732     3.5192     2.7431     3.4849 
   H  20    5.1209     4.6835     4.7194     3.7007     3.7461     3.1215 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    3.2400     0.0000 
   H  15    1.6200     2.8059     0.0000 
   H  16    2.8059     1.6200     1.6199     0.0000 
   H  17    2.4522     3.2380     3.6739     3.9665     0.0000 
   H  18    2.3716     4.5380     3.9665     4.8185     1.6200     0.0000 
   H  19    1.3800     4.1077     3.0000     4.0601     1.9436     1.0739 
   H  20    5.1533     3.5581     3.6342     2.5019     6.4450     7.3038 

              H  19      H  20
              ----------------------
   H  19    0.0000 
   H  20    6.4860     0.0000 



ATOMIC CHARGES
  Cl   1   -0.1453996612
   O   2   -0.5759887812
   O   3    0.0415043488
   N   4   -0.2774751017
   N   5    0.0815639700
   N   6   -0.2563464422
   C   7    0.1188997903
   C   8    0.2948966484
   C   9   -0.0330011795
   C  10    0.0175533059
   C  11   -0.0595542714
   C  12   -0.0552271005
   H  13    0.0638525186
   H  14    0.0685824449
   H  15    0.0618209210
   H  16    0.0619686779
   H  17    0.1661766282
   H  18    0.1403868112
   H  19    0.1403868112
   H  20    0.1453996612


BOND ANGLES
   6    4    7   N3  Npl  Car    120.001
   6    4   17   N3  Npl   HC    120.002
   7    4   17  Car  Npl   HC    119.997
   2    5    3   O-  Ntr   O2    120.001
   2    5    8   O-  Ntr  Car    119.999
   3    5    8   O2  Ntr  Car    120.001
   4    6   18  Npl   N3   HC    120.001
   4    6   19  Npl   N3   HC    119.998
  18    6   19   HC   N3   HC    120.002
   4    7    8  Npl  Car  Car    119.998
   4    7    9  Npl  Car  Car    120.001
   8    7    9  Car  Car  Car    120.001
   5    8    7  Ntr  Car  Car    120.001
   5    8   10  Ntr  Car  Car    120.001
   7    8   10  Car  Car  Car    119.998
   7    9   11  Car  Car  Car    120.001
   7    9   13  Car  Car   HC    119.998
  11    9   13  Car  Car   HC    120.002
   8   10   12  Car  Car  Car    119.998
   8   10   14  Car  Car   HC    120.002
  12   10   14  Car  Car   HC    120.000
   9   11   12  Car  Car  Car    120.001
   9   11   15  Car  Car   HC    120.002
  12   11   15  Car  Car   HC    119.998
  10   12   11  Car  Car  Car    120.001
  10   12   16  Car  Car   HC    119.998
  11   12   16  Car  Car   HC    120.001


TORSION ANGLES
   7    4    6   18    179.974
   7    4    6   19      0.026
  17    4    6   18      0.026
  17    4    6   19    179.974
   6    4    7    8    179.974
   6    4    7    9      0.026
  17    4    7    8      0.026
  17    4    7    9    179.974
   2    5    8    7    179.974
   2    5    8   10      0.026
   3    5    8    7      0.026
   3    5    8   10    179.974
   4    7    8    5      0.026
   4    7    8   10    179.974
   9    7    8    5    179.974
   9    7    8   10      0.026
   4    7    9   11    179.974
   4    7    9   13      0.026
   8    7    9   11      0.026
   8    7    9   13    179.974
   5    8   10   12    179.974
   5    8   10   14      0.026
   7    8   10   12      0.026
   7    8   10   14    179.974
   7    9   11   12      0.026
   7    9   11   15    179.974
  13    9   11   12    179.974
  13    9   11   15      0.026
   8   10   12   11      0.026
   8   10   12   16    179.974
  14   10   12   11    179.974
  14   10   12   16      0.026
   9   11   12   10      0.026
   9   11   12   16    179.974
  15   11   12   10    179.974
  15   11   12   16      0.026