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4,5-difluoro-2-nitro-aniline
4,5-difluoro-2-nitro-aniline ID: AN-12735
CAS:78056-39-0
Supplier:AN PharmaTech Co Ltd

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SMILES:Fc1cc([N+](=O)[O-])c(N)cc1F	157151
FORMULA: C6H4F2N2O2
MASS: 174.1050
EXACT MASS: 174.0240838
INTERATOMIC DISTANCES

              F   1      F   2      O   3      O   4      N   5      N   6
              ------------------------------------------------------------------
   F   1    0.0000 
   F   2    2.0000     0.0000 
   O   3    3.6055     4.5826     0.0000 
   O   4    4.3589     4.5826     1.7320     0.0000 
   N   5    3.4641     4.0000     1.0000     1.0000     0.0000 
   N   6    4.0000     3.4641     3.0000     1.7321     2.0000     0.0000 
   C   7    2.6457     3.0000     1.7320     1.7320     1.0000     1.7321 
   C   8    2.9999     2.6457     2.6457     2.0000     1.7320     1.0001 
   C   9    1.7320     2.6457     2.0000     2.6457     1.7320     2.6458 
   C  10    2.6457     1.7320     3.4641     3.0000     2.6457     1.7321 
   C  11    1.0000     1.7320     3.0000     3.4641     2.6457     3.0000 
   C  12    1.7320     1.0000     3.6055     3.6055     3.0000     2.6458 
   H  13    1.8397     3.1408     1.7733     2.8292     1.8397     3.1409 
   H  14    3.1408     1.8397     4.0130     3.3533     3.1408     1.8397 
   H  15    4.3433     3.5192     3.6200     2.2901     2.6200     0.6200 
   H  16    4.3433     4.0131     2.7431     1.2347     1.7733     0.6200 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    1.0000     1.7320     0.0000 
   C  10    1.7320     1.0000     2.0000     0.0000 
   C  11    1.7320     2.0000     1.0000     1.7320     0.0000 
   C  12    2.0000     1.7320     1.7320     1.0000     1.0000     0.0000 
   H  13    1.4158     2.2901     0.6201     2.6200     1.4158     2.2901 
   H  14    2.2901     1.4158     2.6200     0.6201     2.2901     1.4158 
   H  15    2.2901     1.4158     3.1408     1.8397     3.3533     2.8292 
   H  16    1.8397     1.4158     2.8292     2.2901     3.3533     3.1408 

              H  13      H  14      H  15      H  16
              --------------------------------------------
   H  13    0.0000 
   H  14    3.2401     0.0000 
   H  15    3.6740     1.7320     0.0000 
   H  16    3.2380     2.4522     1.0739     0.0000 



ATOMIC CHARGES
   F   1   -0.2022534610
   F   2   -0.2024148138
   O   3   -0.5759883401
   O   4    0.0415049038
   N   5    0.0816119022
   N   6   -0.3526670461
   C   7    0.2964130874
   C   8    0.1056750814
   C   9    0.0555186301
   C  10    0.0037073562
   C  11    0.1649381362
   C  12    0.1605714395
   H  13    0.0715853687
   H  14    0.0667685798
   H  15    0.1425145878
   H  16    0.1425145878


BOND ANGLES
   3    5    4   O-  Ntr   O2    119.999
   3    5    7   O-  Ntr  Car    120.001
   4    5    7   O2  Ntr  Car    120.001
   8    6   15  Car  Npl   HC    120.000
   8    6   16  Car  Npl   HC    119.998
  15    6   16   HC  Npl   HC    120.002
   5    7    8  Ntr  Car  Car    120.001
   5    7    9  Ntr  Car  Car    120.001
   8    7    9  Car  Car  Car    119.999
   6    8    7  Npl  Car  Car    120.001
   6    8   10  Npl  Car  Car    119.998
   7    8   10  Car  Car  Car    120.001
   7    9   11  Car  Car  Car    120.001
   7    9   13  Car  Car   HC    120.002
  11    9   13  Car  Car   HC    119.997
   8   10   12  Car  Car  Car    120.001
   8   10   14  Car  Car   HC    119.997
  12   10   14  Car  Car   HC    120.002
   1   11    9    F  Car  Car    120.001
   1   11   12    F  Car  Car    119.999
   9   11   12  Car  Car  Car    120.001
   2   12   10    F  Car  Car    120.001
   2   12   11    F  Car  Car    120.001
  10   12   11  Car  Car  Car    119.999


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