Sign In Join Free

Products Information

2-bromo-4-(bromomethyl)-1-fluoro-benzene
2-bromo-4-(bromomethyl)-1-fluoro-benzene ID: AN-36696
CAS:78239-71-1
Supplier:AN PharmaTech Co Ltd

Get a quote


SMILES:BrCc1cc(Br)c(F)cc1	12922710
FORMULA: C7H5Br2F
MASS: 267.9210
EXACT MASS: 265.8742024
INTERATOMIC DISTANCES

             Br   1     Br   2      F   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Br   1    0.0000 
  Br   2    4.3589     0.0000 
   F   3    4.5826     2.0000     0.0000 
   C   4    1.7320     2.6458     3.0000     0.0000 
   C   5    2.6457     1.7321     2.6458     1.0000     0.0000 
   C   6    2.0000     3.0000     2.6457     1.0001     1.7321     0.0000 
   C   7    1.0000     3.4641     4.0000     1.0000     1.7320     1.7321 
   C   8    3.4641     1.0000     1.7320     1.7321     1.0001     2.0000 
   C   9    3.0000     2.6457     1.7320     1.7321     2.0000     1.0000 
   C  10    3.6056     1.7320     1.0000     2.0000     1.7321     1.7320 
   H  11    2.8292     1.8397     3.1408     1.4158     0.6200     2.2901 
   H  12    1.7733     3.6200     3.1407     1.4158     2.2901     0.6200 
   H  13    1.0812     3.8918     4.5875     1.5968     2.1829     2.3452 
   H  14    1.5967     3.1022     3.9400     1.0813     1.4156     2.0296 
   H  15    3.3533     3.1407     1.8397     2.2901     2.6200     1.4157 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.6458     0.0000 
   C   9    2.6458     1.7320     0.0000 
   C  10    3.0000     1.0000     1.0000     0.0000 
   H  11    1.8397     1.4158     2.6200     2.2901     0.0000 
   H  12    1.8397     2.6200     1.4158     2.2901     2.8059     0.0000 
   H  13    0.6200     3.1513     3.2657     3.5889     2.1356     2.3981 
   H  14    0.6200     2.4060     2.8114     2.9562     1.3414     2.2861 
   H  15    3.1408     2.2900     0.6200     1.4158     3.2400     1.6199 

              H  13      H  14      H  15
              ---------------------------------
   H  13    0.0000 
   H  14    0.7971     0.0000 
   H  15    3.7574     3.3700     0.0000 



ATOMIC CHARGES
  Br   1   -0.0867314462
  Br   2   -0.0473260513
   F   3   -0.2043317448
   C   4   -0.0357542625
   C   5   -0.0410103740
   C   6   -0.0550029575
   C   7    0.0284631869
   C   8    0.0532941216
   C   9   -0.0250676313
   C  10    0.1373021825
   H  11    0.0632400776
   H  12    0.0621405349
   H  13    0.0430649489
   H  14    0.0430649489
   H  15    0.0646544663


BOND ANGLES
   5    4    6  Car  Car  Car    119.998
   5    4    7  Car  Car   C3    120.001
   6    4    7  Car  Car   C3    120.001
   4    5    8  Car  Car  Car    119.998
   4    5   11  Car  Car   HC    120.002
   8    5   11  Car  Car   HC    120.000
   4    6    9  Car  Car  Car    120.001
   4    6   12  Car  Car   HC    119.998
   9    6   12  Car  Car   HC    120.001
   1    7    4   Br   C3  Car    120.001
   1    7   13   Br   C3   HC     79.997
   1    7   14   Br   C3   HC    159.996
   4    7   13  Car   C3   HC    160.002
   4    7   14  Car   C3   HC     80.004
  13    7   14   HC   C3   HC     79.999
   2    8    5   Br  Car  Car    119.998
   2    8   10   Br  Car  Car    120.001
   5    8   10  Car  Car  Car    120.001
   6    9   10  Car  Car  Car    120.001
   6    9   15  Car  Car   HC    119.998
  10    9   15  Car  Car   HC    120.002
   3   10    8    F  Car  Car    119.999
   3   10    9    F  Car  Car    120.001
   8   10    9  Car  Car  Car    120.001


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