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5-bromo-2-(bromomethyl)-1,3-difluoro-benzene
5-bromo-2-(bromomethyl)-1,3-difluoro-benzene ID: AN-17065
CAS:162744-60-7
Supplier:AN PharmaTech Co Ltd

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SMILES:BrCc1c(F)cc(Br)cc1F	2773305
FORMULA: C7H4Br2F2
MASS: 285.9115
EXACT MASS: 283.8647806
INTERATOMIC DISTANCES

             Br   1     Br   2      F   3      F   4      C   5      C   6
              ------------------------------------------------------------------
  Br   1    0.0000 
  Br   2    4.5826     0.0000 
   F   3    3.0000     3.4641     0.0000 
   F   4    1.7320     3.4641     3.4641     0.0000 
   C   5    1.7321     3.0000     1.7320     1.7321     0.0000 
   C   6    2.6458     2.6457     1.0000     2.6458     1.0000     0.0000 
   C   7    2.0000     2.6458     2.6458     1.0000     1.0001     1.7321 
   C   8    1.0001     4.0000     2.0000     2.0000     1.0000     1.7320 
   C   9    3.4641     1.7320     1.7320     3.0000     1.7320     1.0000 
   C  10    3.0000     1.7321     3.0000     1.7320     1.7321     2.0000 
   C  11    3.6056     1.0000     2.6457     2.6458     2.0000     1.7320 
   H  12    1.0813     4.5875     2.1943     2.5068     1.5967     2.1829 
   H  13    1.5968     3.9399     1.4332     2.5068     1.0812     1.4155 
   H  14    4.0130     1.8396     1.8397     3.6200     2.2900     1.4158 
   H  15    3.3533     1.8397     3.6200     1.8397     2.2901     2.6200 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7321     0.0000 
   C   9    2.0000     2.6457     0.0000 
   C  10    1.0000     2.6458     1.7321     0.0000 
   C  11    1.7321     3.0000     1.0000     1.0001     0.0000 
   H  12    2.3451     0.6200     3.1512     3.2657     3.5889     0.0000 
   H  13    2.0295     0.6199     2.4059     2.8113     2.9560     0.7971 
   H  14    2.6200     3.1407     0.6200     2.2901     1.4157     3.5955 
   H  15    1.4158     3.1408     2.2901     0.6200     1.4158     3.7574 

              H  13      H  14      H  15
              ---------------------------------
   H  13    0.0000 
   H  14    2.8161     0.0000 
   H  15    3.3700     2.8059     0.0000 



ATOMIC CHARGES
  Br   1   -0.0865439886
  Br   2   -0.0501115130
   F   3   -0.2050478631
   F   4   -0.2050478631
   C   5    0.0333531115
   C   6    0.1311255675
   C   7    0.1311255675
   C   8    0.0338772435
   C   9   -0.0119985332
   C  10   -0.0119985332
   C  11    0.0233220049
   H  12    0.0432438261
   H  13    0.0432438261
   H  14    0.0657285736
   H  15    0.0657285736


BOND ANGLES
   6    5    7  Car  Car  Car    120.001
   6    5    8  Car  Car   C3    120.001
   7    5    8  Car  Car   C3    119.998
   3    6    5    F  Car  Car    119.999
   3    6    9    F  Car  Car    120.001
   5    6    9  Car  Car  Car    120.001
   4    7    5    F  Car  Car    120.001
   4    7   10    F  Car  Car    120.001
   5    7   10  Car  Car  Car    119.998
   1    8    5   Br   C3  Car    119.998
   1    8   12   Br   C3   HC     79.998
   1    8   13   Br   C3   HC    160.007
   5    8   12  Car   C3   HC    160.004
   5    8   13  Car   C3   HC     79.995
  12    8   13   HC   C3   HC     80.009
   6    9   11  Car  Car  Car    120.001
   6    9   14  Car  Car   HC    120.002
  11    9   14  Car  Car   HC    119.998
   7   10   11  Car  Car  Car    119.998
   7   10   15  Car  Car   HC    120.002
  11   10   15  Car  Car   HC    120.000
   2   11    9   Br  Car  Car    120.001
   2   11   10   Br  Car  Car    119.998
   9   11   10  Car  Car  Car    120.001


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