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2-Nitro-5-Fluorophenol
2-Nitro-5-Fluorophenol ID: CHB83126
CAS:446-36-6
Supplier:ChemiK Co.,Ltd.

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SMILES:c1(c(ccc(c1)F)[N+](=O)[O-])O	
FORMULA: C6H4FNO3
MASS: 157.0993
EXACT MASS: 157.0175212
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8463     0.0000 
   C   3    1.4658     0.8463     0.0000 
   C   4    1.6926     1.4658     0.8463     0.0000 
   C   5    1.4658     1.6925     1.4658     0.8463     0.0000 
   C   6    0.8463     1.4658     1.6926     1.4658     0.8463     0.0000 
   F   7    2.2390     2.5388     2.2390     1.4658     0.8463     1.4658 
   N   8    1.4657     0.8462     1.4657     2.2390     2.5387     2.2390 
   O   9    2.2390     1.4658     1.6925     2.5388     3.0512     2.9316 
   O  10    1.6925     1.4658     2.2390     2.9316     3.0512     2.5388 
   O  11    0.8462     1.4657     2.2389     2.5387     2.2389     1.4657 

              F   7      N   8      O   9      O  10      O  11
              -------------------------------------------------------
   F   7    0.0000 
   N   8    3.3850     0.0000 
   O   9    3.8781     0.8463     0.0000 
   O  10    3.8781     0.8463     1.4658     0.0000 
   O  11    2.9315     1.6924     2.5387     1.4657     0.0000 



ATOMIC CHARGES
   C   1    0.2665451478
   C   2    0.3284362675
   C   3    0.0810421321
   C   4    0.0361627312
   C   5    0.1437509353
   C   6    0.0780821251
   F   7   -0.2040586461
   N   8    0.0842886497
   O   9    0.0415878658
   O  10   -0.5759222526
   O  11   -0.2799149558


BOND ANGLES
   2    1    6  Car  Car  Car    119.998
   2    1   11  Car  Car   O3    120.001
   6    1   11  Car  Car   O3    120.001
   1    2    3  Car  Car  Car    120.005
   1    2    8  Car  Car  Ntr    119.998
   3    2    8  Car  Car  Ntr    119.998
   2    3    4  Car  Car  Car    119.998
   3    4    5  Car  Car  Car    119.998
   4    5    6  Car  Car  Car    120.005
   4    5    7  Car  Car    F    119.998
   6    5    7  Car  Car    F    119.998
   1    6    5  Car  Car  Car    119.998
   9    8   10   O2  Ntr   O-    119.993
   2    8    9  Car  Ntr   O2    120.004
   2    8   10  Car  Ntr   O-    120.004


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