Sign In Join Free

Products Information

1,3-Dibromo-5-fluorobenzene
1,3-Dibromo-5-fluorobenzene ID: B184455
CAS:1435-51-4
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

Get a quote


SMILES:c1(cc(cc(c1)F)Br)Br	
FORMULA: C6H3Br2F
MASS: 253.8944
EXACT MASS: 251.8585523
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.2875     0.0000 
   C   3    1.2894     1.2956     0.0000 
   C   4    0.7458     1.4879     0.7396     0.0000 
   C   5    1.4879     0.7458     0.7504     1.2875     0.0000 
   C   6    0.7354     0.7463     1.4875     1.2822     1.2885     0.0000 
  Br   7    0.7463     1.9719     1.9673     1.2885     2.2342     1.2875 
   F   8    1.9678     0.7426     1.9728     2.2305     1.2864     1.2958 
  Br   9    1.9646     1.9687     0.7375     1.2822     1.2885     2.2250 

             Br   7      F   8     Br   9
              ---------------------------------
  Br   7    0.0000 
   F   8    2.5833     0.0000 
  Br   9    2.5707     2.5748     0.0000 



ATOMIC CHARGES
   C   1    0.0372912830
   C   2    0.1411265699
   C   3    0.0372912830
   C   4    0.0135339230
   C   5    0.0363578650
   C   6    0.0363578650
  Br   7   -0.0489098428
   F   8   -0.2041391034
  Br   9   -0.0489098428


BOND ANGLES
   4    1    6  Car  Car  Car    119.908
   4    1    7  Car  Car   Br    119.430
   6    1    7  Car  Car   Br    120.662
   5    2    6  Car  Car  Car    119.430
   6    2    8  Car  Car    F    120.981
   5    2    8  Car  Car    F    119.589
   4    3    9  Car  Car   Br    120.466
   4    3    5  Car  Car  Car    119.553
   5    3    9  Car  Car   Br    119.982
   1    4    3  Car  Car  Car    120.466
   2    5    3  Car  Car  Car    119.982
   1    6    2  Car  Car  Car    120.662


TORSION ANGLES
   5    2    6    1      0.026
   8    2    6    1    179.974
   9    3    4    1    179.974
   5    3    4    1      0.026
   3    4    1    6      0.026
   3    4    1    7    179.974
   3    5    2    6      0.026
   3    5    2    8    179.974
   2    6    1    4      0.026
   2    6    1    7    179.974
   4    3    5    2      0.026
   9    3    5    2    179.974