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4-amino-2,3-difluoro-phenol
4-amino-2,3-difluoro-phenol ID: AN-30912
CAS:163733-99-1
Supplier:AN PharmaTech Co Ltd

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SMILES:Fc1c(N)ccc(O)c1F	2778766
FORMULA: C6H5F2NO
MASS: 145.1068
EXACT MASS: 145.0339202
INTERATOMIC DISTANCES

              F   1      F   2      O   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   F   1    0.0000 
   F   2    2.0000     0.0000 
   O   3    3.4641     2.0000     0.0000 
   N   4    2.0000     3.4641     4.0000     0.0000 
   C   5    1.7320     2.6457     3.0000     1.0000     0.0000 
   C   6    1.0000     1.7320     2.6457     1.7320     1.0000     0.0000 
   C   7    2.6458     3.0000     2.6458     1.7321     1.0001     1.7321 
   C   8    2.6457     1.7320     1.0000     3.0000     2.0000     1.7320 
   C   9    1.7320     1.0000     1.7320     2.6457     1.7320     1.0000 
   C  10    3.0000     2.6458     1.7321     2.6458     1.7321     2.0000 
   H  11    3.1408     3.6200     3.1408     1.8397     1.4158     2.2901 
   H  12    3.6200     3.1408     1.8397     3.1408     2.2901     2.6200 
   H  13    2.6200     4.0130     4.3433     0.6201     1.4158     2.2901 
   H  14    1.7732     3.5191     4.3433     0.6200     1.4158     1.8397 
   H  15    4.0130     2.6200     0.6201     4.3433     3.3533     3.1408 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7321     0.0000 
   C   9    2.0000     1.0000     0.0000 
   C  10    1.0000     1.0001     1.7321     0.0000 
   H  11    0.6200     2.2901     2.6200     1.4158     0.0000 
   H  12    1.4158     1.4158     2.2901     0.6200     1.6200     0.0000 
   H  13    1.8397     3.3533     3.1408     2.8292     1.7320     3.2380 
   H  14    2.2901     3.3533     2.8292     3.1408     2.4522     3.6739 
   H  15    2.8292     1.4158     2.2901     1.8397     3.2380     1.7320 

              H  13      H  14      H  15
              ---------------------------------
   H  13    0.0000 
   H  14    1.0739     0.0000 
   H  15    4.6200     4.7432     0.0000 



ATOMIC CHARGES
   F   1   -0.2004111025
   F   2   -0.1985610021
   O   3   -0.5038084412
   N   4   -0.3556740539
   C   5    0.0633602911
   C   6    0.1825029457
   C   7   -0.0346114474
   C   8    0.1548900844
   C   9    0.2012948471
   C  10   -0.0153921084
   H  11    0.0637932509
   H  12    0.0655460734
   H  13    0.1424021317
   H  14    0.1424021317
   H  15    0.2922663995


BOND ANGLES
   8    3   15  Car   O3   HO    119.997
   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
   1    6    5    F  Car  Car    119.999
   1    6    9    F  Car  Car    120.001
   5    6    9  Car  Car  Car    120.001
   5    7   10  Car  Car  Car    119.998
   5    7   11  Car  Car   HC    120.000
  10    7   11  Car  Car   HC    120.002
   3    8    9   O3  Car  Car    120.001
   3    8   10   O3  Car  Car    119.998
   9    8   10  Car  Car  Car    120.001
   2    9    6    F  Car  Car    120.001
   2    9    8    F  Car  Car    119.999
   6    9    8  Car  Car  Car    120.001
   7   10    8  Car  Car  Car    119.998
   7   10   12  Car  Car   HC    120.002
   8   10   12  Car  Car   HC    120.000


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