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1-bromo-5-chloro-2,3,4-trifluoro-6-methyl-benzene
1-bromo-5-chloro-2,3,4-trifluoro-6-methyl-benzene ID: AN-10458
CAS:857061-44-0
Supplier:AN PharmaTech Co Ltd

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SMILES:Brc1c(c(Cl)c(F)c(F)c1F)C	49853396
FORMULA: C7H3BrClF3
MASS: 259.4509
EXACT MASS: 257.9058744
INTERATOMIC DISTANCES

             Br   1     Cl   2      F   3      F   4      F   5      C   6
              ------------------------------------------------------------------
  Br   1    0.0000 
  Cl   2    3.4641     0.0000 
   F   3    2.0000     4.0000     0.0000 
   F   4    4.0000     2.0000     3.4641     0.0000 
   F   5    3.4641     3.4641     2.0000     2.0000     0.0000 
   C   6    1.7320     1.7321     2.6457     2.6458     3.0000     0.0000 
   C   7    1.0000     2.6458     1.7320     3.0000     2.6457     1.0000 
   C   8    2.6458     1.0000     3.0000     1.7320     2.6458     1.0001 
   C   9    1.7320     3.0000     1.0000     2.6458     1.7320     1.7320 
   C  10    3.0000     1.7320     2.6458     1.0000     1.7321     1.7321 
   C  11    2.0000     2.0000     3.4641     3.4641     4.0000     1.0000 
   C  12    2.6457     2.6458     1.7320     1.7321     1.0000     2.0000 
   H  13    2.5558     1.4956     3.8121     3.1995     4.0478     1.1766 
   H  14    2.3715     2.3716     4.0130     4.0131     4.6200     1.6200 
   H  15    1.4955     2.5559     3.1995     3.8121     4.0478     1.1766 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7321     0.0000 
   C   9    1.0000     2.0000     0.0000 
   C  10    2.0000     1.0000     1.7321     0.0000 
   C  11    1.7320     1.7321     2.6457     2.6458     0.0000 
   C  12    1.7320     1.7321     1.0000     1.0001     3.0000     0.0000 
   H  13    2.1114     1.5201     2.9083     2.5121     0.6200     3.0634 
   H  14    2.2901     2.2901     3.2380     3.2380     0.6200     3.6200 
   H  15    1.5200     2.1115     2.5121     2.9083     0.6200     3.0634 

              H  13      H  14      H  15
              ---------------------------------
   H  13    0.0000 
   H  14    0.8768     0.0000 
   H  15    1.2400     0.8768     0.0000 



ATOMIC CHARGES
  Br   1   -0.0469173409
  Cl   2   -0.0801676346
   F   3   -0.2012074179
   F   4   -0.2008341400
   F   5   -0.1993649342
   C   6   -0.0124532500
   C   7    0.0603375619
   C   8    0.0830651130
   C   9    0.1754667518
   C  10    0.1797698367
   C  11   -0.0370936700
   C  12    0.1959022868
   H  13    0.0278322792
   H  14    0.0278322792
   H  15    0.0278322792


BOND ANGLES
   7    6    8  Car  Car  Car    120.001
   7    6   11  Car  Car   C3    120.001
   8    6   11  Car  Car   C3    119.998
   1    7    6   Br  Car  Car    119.999
   1    7    9   Br  Car  Car    120.001
   6    7    9  Car  Car  Car    120.001
   2    8    6   Cl  Car  Car    120.001
   2    8   10   Cl  Car  Car    120.001
   6    8   10  Car  Car  Car    119.998
   3    9    7    F  Car  Car    120.001
   3    9   12    F  Car  Car    119.999
   7    9   12  Car  Car  Car    120.001
   4   10    8    F  Car  Car    120.001
   4   10   12    F  Car  Car    120.001
   8   10   12  Car  Car  Car    119.998
   6   11   13  Car   C3   HC     90.000
   6   11   14  Car   C3   HC    179.974
   6   11   15  Car   C3   HC     90.000
  13   11   14   HC   C3   HC     90.000
  13   11   15   HC   C3   HC    179.974
  14   11   15   HC   C3   HC     90.000
   5   12    9    F  Car  Car    120.001
   5   12   10    F  Car  Car    119.998
   9   12   10  Car  Car  Car    120.001


TORSION ANGLES
   8    6    7    1    179.974
   8    6    7    9      0.026
  11    6    7    1      0.026
  11    6    7    9    179.974
   7    6    8    2    179.974
   7    6    8   10      0.026
  11    6    8    2      0.026
  11    6    8   10    179.974
   7    6   11   13    179.974
   7    6   11   14    180.000
   7    6   11   15      0.026
   8    6   11   13      0.026
   8    6   11   14    180.000
   8    6   11   15    179.974
   1    7    9    3      0.026
   1    7    9   12    179.974
   6    7    9    3    179.974
   6    7    9   12      0.026
   2    8   10    4      0.026
   2    8   10   12    179.974
   6    8   10    4    179.974
   6    8   10   12      0.026
   3    9   12    5      0.026
   3    9   12   10    179.974
   7    9   12    5    179.974
   7    9   12   10      0.026
   4   10   12    5      0.026
   4   10   12    9    179.974
   8   10   12    5    179.974
   8   10   12    9      0.026