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Products Information

3,4,5-trifluoroaniline
3,4,5-trifluoroaniline ID: AN-5976
CAS:163733-96-8
Supplier:AN PharmaTech Co Ltd

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SMILES:Fc1cc(N)cc(F)c1F	2724991
FORMULA: C6H4F3N
MASS: 147.0979
EXACT MASS: 147.0295838
INTERATOMIC DISTANCES

              F   1      F   2      F   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   F   1    0.0000 
   F   2    3.4641     0.0000 
   F   3    2.0000     2.0000     0.0000 
   N   4    3.4641     3.4641     4.0000     0.0000 
   C   5    2.6458     2.6457     3.0000     1.0000     0.0000 
   C   6    3.0000     1.7320     2.6457     1.7320     1.0000     0.0000 
   C   7    1.7320     3.0000     2.6458     1.7321     1.0001     1.7321 
   C   8    1.0000     2.6458     1.7321     2.6458     1.7321     2.0000 
   C   9    2.6458     1.0000     1.7320     2.6457     1.7320     1.0000 
   C  10    1.7321     1.7320     1.0000     3.0000     2.0000     1.7320 
   H  11    3.6200     1.8397     3.1407     1.8396     1.4157     0.6200 
   H  12    1.8397     3.6200     3.1408     1.8397     1.4158     2.2901 
   H  13    3.5191     4.0130     4.3433     0.6201     1.4158     2.2901 
   H  14    4.0130     3.5191     4.3433     0.6200     1.4158     1.8397 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    2.0000     1.7321     0.0000 
   C  10    1.7321     1.0001     1.0000     0.0000 
   H  11    2.2901     2.6200     1.4158     2.2900     0.0000 
   H  12    0.6200     1.4158     2.6200     2.2901     2.8059     0.0000 
   H  13    1.8397     2.8292     3.1408     3.3533     2.4522     1.7320 
   H  14    2.2901     3.1408     2.8292     3.3533     1.7320     2.4522 

              H  13      H  14
              ----------------------
   H  13    0.0000 
   H  14    1.0739     0.0000 



ATOMIC CHARGES
   F   1   -0.2023217807
   F   2   -0.2023217807
   F   3   -0.1994518724
   N   4   -0.3578178918
   C   5    0.0301910210
   C   6   -0.0027360668
   C   7   -0.0027360668
   C   8    0.1629985984
   C   9    0.1629985984
   C  10    0.1934458706
   H  11    0.0665510538
   H  12    0.0665510538
   H  13    0.1423246317
   H  14    0.1423246317


BOND ANGLES
   5    4   13  Car  Npl   HC    119.997
   5    4   14  Car  Npl   HC    120.002
  13    4   14   HC  Npl   HC    120.001
   4    5    6  Npl  Car  Car    120.001
   4    5    7  Npl  Car  Car    119.998
   6    5    7  Car  Car  Car    120.001
   5    6    9  Car  Car  Car    120.001
   5    6   11  Car  Car   HC    119.998
   9    6   11  Car  Car   HC    120.002
   5    7    8  Car  Car  Car    119.998
   5    7   12  Car  Car   HC    120.000
   8    7   12  Car  Car   HC    120.002
   1    8    7    F  Car  Car    120.001
   1    8   10    F  Car  Car    120.001
   7    8   10  Car  Car  Car    119.998
   2    9    6    F  Car  Car    120.001
   2    9   10    F  Car  Car    119.999
   6    9   10  Car  Car  Car    120.001
   3   10    8    F  Car  Car    119.998
   3   10    9    F  Car  Car    120.001
   8   10    9  Car  Car  Car    120.001


TORSION ANGLES
  13    4    5    6    179.974
  13    4    5    7      0.026
  14    4    5    6      0.026
  14    4    5    7    179.974
   4    5    6    9    179.974
   4    5    6   11      0.026
   7    5    6    9      0.026
   7    5    6   11    179.974
   4    5    7    8    179.974
   4    5    7   12      0.026
   6    5    7    8      0.026
   6    5    7   12    179.974
   5    6    9    2    179.974
   5    6    9   10      0.026
  11    6    9    2      0.026
  11    6    9   10    179.974
   5    7    8    1    179.974
   5    7    8   10      0.026
  12    7    8    1      0.026
  12    7    8   10    179.974
   1    8   10    3      0.026
   1    8   10    9    179.974
   7    8   10    3    179.974
   7    8   10    9      0.026
   2    9   10    3      0.026
   2    9   10    8    179.974
   6    9   10    3    179.974
   6    9   10    8      0.026