Sign In Join Free

Products Information

p-bromophenacyl bromide
p-bromophenacyl bromide ID: B187204
CAS:99-73-0
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

Get a quote


SMILES:C(=O)(c1ccc(cc1)Br)CBr	
FORMULA: C8H6Br2O
MASS: 277.9406
EXACT MASS: 275.8785388
INTERATOMIC DISTANCES

              C   1      C   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7504     0.0000 
   O   3    0.7500     1.2993     0.0000 
   C   4    1.3000     0.7504     1.5008     0.0000 
   C   5    1.2993     0.7500     1.9845     1.2993     0.0000 
   C   6    2.2512     1.5008     2.7052     1.2993     1.3000     0.0000 
   C   7    1.9857     1.3000     2.2512     0.7504     1.5008     0.7500 
   C   8    1.9849     1.2993     2.5986     1.5000     0.7504     0.7504 
  Br   9    3.0017     2.2512     3.4384     1.9849     1.9857     0.7504 
  Br  10    1.2958     1.9816     1.4972     2.5958     2.2476     3.4352 
   C  11    0.7504     1.3000     1.2993     1.9857     1.5008     2.7060 

              C   7      C   8     Br   9     Br  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    1.2993     0.0000 
  Br   9    1.2993     1.3000     0.0000 
  Br  10    3.2674     2.9980     4.1746     0.0000 
   C  11    2.6000     2.2512     3.4392     0.7468     0.0000 



ATOMIC CHARGES
   C   1    0.1844806147
   C   2    0.0356206776
   O   3   -0.2904048627
   C   4    0.0033743705
   C   5    0.0033743705
   C   6    0.0345682633
   C   7    0.0067869368
   C   8    0.0067869368
  Br   9   -0.0489988880
  Br  10   -0.0719721093
   C  11    0.1363836897


BOND ANGLES
   2    1    3  Car   C2   O2    119.982
   2    1   11  Car   C2   C3    120.037
   3    1   11   O2   C2   C3    119.982
   1    2    4   C2  Car  Car    120.037
   1    2    5   C2  Car  Car    119.982
   4    2    5  Car  Car  Car    119.982
   2    4    7  Car  Car  Car    120.037
   2    5    8  Car  Car  Car    119.982
   8    6    9  Car  Car   Br    120.037
   7    6    8  Car  Car  Car    119.982
   7    6    9  Car  Car   Br    119.982
   4    7    6  Car  Car  Car    119.982
   5    8    6  Car  Car  Car    120.037
   1   11   10   C2   C3   Br    119.876


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