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4-Hydrazinobenzoic acid
4-Hydrazinobenzoic acid ID: API-41505
CAS:619-67-0
Supplier:APIchem

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SMILES:OC(=O)c1ccc(NN)cc1	ChemMol.com
FORMULA: C7H8N2O2
MASS: 152.1506
EXACT MASS: 152.0585775
INTERATOMIC DISTANCES

              O   1      O   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    1.7320     0.0000 
   N   3    4.5826     4.5826     0.0000 
   N   4    5.2915     5.0000     1.0000     0.0000 
   C   5    3.6055     3.6055     1.0000     1.7320     0.0000 
   C   6    1.7320     1.7320     3.0000     3.6055     2.0000     0.0000 
   C   7    3.4641     3.0000     1.7320     2.0000     1.0000     1.7320 
   C   8    3.0000     3.4641     1.7320     2.6457     1.0000     1.7320 
   C   9    2.6457     2.0000     2.6457     3.0000     1.7320     1.0000 
   C  10    2.0000     2.6457     2.6457     3.4641     1.7320     1.0000 
   C  11    1.0000     1.0000     4.0000     4.5826     3.0000     1.0000 
   H  12    4.0130     3.3533     1.8397     1.7733     1.4158     2.2901 
   H  13    3.3533     4.0130     1.8396     2.8291     1.4157     2.2900 
   H  14    2.8292     1.7733     3.1408     3.3533     2.2901     1.4158 
   H  15    1.7732     2.8291     3.1407     4.0130     2.2900     1.4157 
   H  16    4.8212     5.0104     0.6200     1.4157     1.4158     3.3533 
   H  17    5.8808     5.6200     1.4158     0.6200     2.2901     4.2100 
   H  18    5.2100     4.7206     1.4158     0.6201     1.8397     3.4849 
   H  19    0.6200     1.8396     5.1927     5.8808     4.2100     2.2901 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    1.0000     2.0000     0.0000 
   C  10    2.0000     1.0000     1.7320     0.0000 
   C  11    2.6457     2.6457     1.7320     1.7320     0.0000 
   H  12    0.6201     2.2901     1.4158     2.6200     3.1408     0.0000 
   H  13    2.2900     0.6200     2.6199     1.4158     3.1407     2.8059 
   H  14    1.4158     2.6200     0.6201     2.2901     1.8397     1.6200 
   H  15    2.6199     1.4158     2.2900     0.6200     1.8396     3.2400 
   H  16    2.2900     1.8397     3.1407     2.8292     4.3433     2.4522 
   H  17    2.6200     3.1407     3.6200     4.0130     5.1927     2.3716 
   H  18    1.7733     2.8292     2.7431     3.5192     4.4187     1.3800 
   H  19    4.0130     3.6200     3.1407     2.6200     1.4158     4.5380 

              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    1.7320     3.6739     3.2380     0.0000 
   H  17    3.2379     3.9665     4.5379     1.6199     0.0000 
   H  18    3.1269     3.0000     4.1077     1.9436     1.0739     0.0000 
   H  19    3.9665     3.2380     2.3716     5.4400     6.4759     5.7745 

              H  19
              -----------
   H  19    0.0000 



ATOMIC CHARGES
   O   1   -0.4771244630
   O   2   -0.2451308198
   N   3   -0.2829597831
   N   4   -0.2565148832
   C   5    0.0410202340
   C   6    0.0589474706
   C   7   -0.0388774868
   C   8   -0.0388774868
   C   9   -0.0459933464
   C  10   -0.0459933464
   C  11    0.3368032155
   H  12    0.0636547936
   H  13    0.0636547936
   H  14    0.0626215590
   H  15    0.0626215590
   H  16    0.1659708739
   H  17    0.1403844825
   H  18    0.1403844825
   H  19    0.2954081512


BOND ANGLES
  11    1   19   C2   O3   HO    120.001
   4    3    5   N3  Npl  Car    120.001
   4    3   16   N3  Npl   HC    119.998
   5    3   16  Car  Npl   HC    120.002
   3    4   17  Npl   N3   HC    120.001
   3    4   18  Npl   N3   HC    120.002
  17    4   18   HC   N3   HC    119.997
   3    5    7  Npl  Car  Car    120.001
   3    5    8  Npl  Car  Car    120.001
   7    5    8  Car  Car  Car    119.999
   9    6   10  Car  Car  Car    119.999
   9    6   11  Car  Car   C2    120.001
  10    6   11  Car  Car   C2    120.001
   5    7    9  Car  Car  Car    120.001
   5    7   12  Car  Car   HC    120.002
   9    7   12  Car  Car   HC    119.997
   5    8   10  Car  Car  Car    120.001
   5    8   13  Car  Car   HC    119.998
  10    8   13  Car  Car   HC    120.002
   6    9    7  Car  Car  Car    120.001
   6    9   14  Car  Car   HC    120.002
   7    9   14  Car  Car   HC    119.997
   6   10    8  Car  Car  Car    120.001
   6   10   15  Car  Car   HC    119.998
   8   10   15  Car  Car   HC    120.002
   1   11    2   O3   C2   O2    119.999
   1   11    6   O3   C2  Car    120.001
   2   11    6   O2   C2  Car    120.001


TORSION ANGLES
  19    1   11    2      0.026
  19    1   11    6    179.974
   5    3    4   17    179.974
   5    3    4   18      0.026
  16    3    4   17      0.026
  16    3    4   18    179.974
   4    3    5    7      0.026
   4    3    5    8    179.974
  16    3    5    7    179.974
  16    3    5    8      0.026
   3    5    7    9    179.974
   3    5    7   12      0.026
   8    5    7    9      0.026
   8    5    7   12    179.974
   3    5    8   10    179.974
   3    5    8   13      0.026
   7    5    8   10      0.026
   7    5    8   13    179.974
  10    6    9    7      0.026
  10    6    9   14    179.974
  11    6    9    7    179.974
  11    6    9   14      0.026
   9    6   10    8      0.026
   9    6   10   15    179.974
  11    6   10    8    179.974
  11    6   10   15      0.026
   9    6   11    1    179.974
   9    6   11    2      0.026
  10    6   11    1      0.026
  10    6   11    2    179.974
   5    7    9    6      0.026
   5    7    9   14    179.974
  12    7    9    6    179.974
  12    7    9   14      0.026
   5    8   10    6      0.026
   5    8   10   15    179.974
  13    8   10    6    179.974
  13    8   10   15      0.026