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2-amino-4-nitrophenol
2-amino-4-nitrophenol ID: B187210
CAS:99-57-0
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:[N+](=O)(c1cc(c(cc1)O)N)[O-]	
FORMULA: C6H6N2O3
MASS: 154.1234
EXACT MASS: 154.0378421
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      O   5      O   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7447     0.0000 
   C   3    1.2864     0.7417     0.0000 
   C   4    1.9641     1.2843     0.7411     0.0000 
   O   5    0.7375     1.2827     1.9595     2.5670     0.0000 
   O   6    0.7375     1.2833     1.4822     2.2233     1.2786     0.0000 
   C   7    2.2233     1.4787     1.2792     0.7375     2.6699     2.6677 
   C   8    1.2875     0.7411     1.2843     1.4833     1.4838     1.9604 
   C   9    1.9604     1.2792     1.4787     1.2822     2.2213     2.5625 
   N  10    2.5670     1.9581     1.2807     0.7375     3.2263     2.6699 
   O  11    2.9680     2.2233     1.9604     1.2833     3.3972     3.3957 

              C   7      C   8      C   9      N  10      O  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    1.2822     0.0000 
   C   9    0.7417     0.7375     0.0000 
   N  10    1.2786     2.2208     1.9568     0.0000 
   O  11    0.7447     1.9614     1.2864     1.4801     0.0000 



ATOMIC CHARGES
   N   1    0.0809636126
   C   2    0.2916209926
   C   3    0.0965392239
   C   4    0.1339521948
   O   5   -0.5760068826
   O   6    0.0414816316
   C   7    0.2126710138
   C   8    0.0786414059
   C   9    0.0497514983
   N  10   -0.1244949668
   O  11   -0.2851197241


BOND ANGLES
   2    1    5  Car  Ntr   O-    119.863
   2    1    6  Car  Ntr   O2    119.952
   5    1    6   O-  Ntr   O2    120.184
   1    2    3  Ntr  Car  Car    119.863
   1    2    8  Ntr  Car  Car    120.116
   3    2    8  Car  Car  Car    120.021
   2    3    4  Car  Car  Car    120.021
   3    4   10  Car  Car  Npl    120.021
   3    4    7  Car  Car  Car    119.795
   7    4   10  Car  Car  Npl    120.184
   9    7   11  Car  Car   O3    119.863
   4    7    9  Car  Car  Car    120.184
   4    7   11  Car  Car   O3    119.952
   2    8    9  Car  Car  Car    119.795
   7    9    8  Car  Car  Car    120.184


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