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4,4'-Dibromobenzophenone
4,4'-Dibromobenzophenone ID: B184974
CAS:3988-03-2
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:C(=O)(c1ccc(cc1)Br)c1ccc(cc1)Br	
FORMULA: C13H8Br2O
MASS: 340.0100
EXACT MASS: 337.8941889
INTERATOMIC DISTANCES

              C   1      C   2      C   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7411     0.0000 
   C   3    0.7468     1.2875     0.0000 
   O   4    0.7417     1.2843     1.2900     0.0000 
   C   5    1.2915     0.7500     1.4879     1.9699     0.0000 
   C   6    1.2875     0.7447     1.9693     1.4859     1.2935     0.0000 
   C   7    1.2875     1.9630     0.7391     1.4900     2.2270     2.5750 
   C   8    1.2822     1.4787     0.7375     1.9607     1.2792     2.2233 
   C   9    2.2275     2.6740     1.4807     2.6785     2.5667     3.4024 
   C  10    2.2270     1.4859     2.6785     2.6758     1.2875     1.2843 
   C  11    1.9612     2.5667     1.2792     2.2255     2.6729     3.2343 
   C  12    1.9645     1.2875     2.5750     2.2270     1.4900     0.7411 
   C  13    1.9592     2.2183     1.2781     2.5681     1.9515     2.9629 
   C  14    1.9673     1.2900     2.2305     2.5743     0.7426     1.4875 
  Br  15    2.9717     2.2305     3.4062     3.4031     1.9670     1.9641 
  Br  16    2.9743     3.4038     2.2275     3.4081     3.2343     4.1381 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.2813     0.0000 
   C   9    1.2822     1.2875     0.0000 
   C  10    3.4009     2.5667     3.8542     0.0000 
   C  11    0.7354     1.4838     0.7458     3.9241     0.0000 
   C  12    3.2371     2.6717     3.9265     0.7417     3.8542     0.0000 
   C  13    1.4793     0.7396     0.7463     3.2261     1.2885     3.3932 
   C  14    2.9696     1.9612     3.2334     0.7432     3.3997     1.2879 
  Br  15    4.1346     3.2338     4.5146     0.7447     4.6345     1.2864 
  Br  16    1.9646     1.9709     0.7468     4.5163     1.2935     4.6385 

              C  13      C  14     Br  15     Br  16
              --------------------------------------------
   C  13    0.0000 
   C  14    2.5625     0.0000 
  Br  15    3.8500     1.2875     0.0000 
  Br  16    1.2958     3.8583     5.1458     0.0000 



ATOMIC CHARGES
   C   1    0.1955460237
   C   2    0.0389814885
   C   3    0.0389814885
   O   4   -0.2865729366
   C   5    0.0036839040
   C   6    0.0036839040
   C   7    0.0036839040
   C   8    0.0036839040
   C   9    0.0345685259
   C  10    0.0345685259
   C  11    0.0067972605
   C  12    0.0067972605
   C  13    0.0067972605
   C  14    0.0067972605
  Br  15   -0.0489988870
  Br  16   -0.0489988870


BOND ANGLES
   2    1    3  Car   C2  Car    119.836
   2    1    4  Car   C2   O2    120.021
   3    1    4  Car   C2   O2    120.143
   1    2    5   C2  Car  Car    120.021
   1    2    6   C2  Car  Car    120.116
   5    2    6  Car  Car  Car    119.863
   1    3    7   C2  Car  Car    120.111
   1    3    8   C2  Car  Car    119.498
   7    3    8  Car  Car  Car    120.391
   2    5   14  Car  Car  Car    119.589
   2    6   12  Car  Car  Car    120.116
   3    7   11  Car  Car  Car    120.346
   3    8   13  Car  Car  Car    119.821
  13    9   16  Car  Car   Br    120.428
  11    9   13  Car  Car  Car    119.430
  11    9   16  Car  Car   Br    120.143
  12   10   15  Car  Car   Br    119.863
  12   10   14  Car  Car  Car    120.301
  14   10   15  Car  Car   Br    119.835
   7   11    9  Car  Car  Car    119.908
   6   12   10  Car  Car  Car    120.021
   8   13    9  Car  Car  Car    120.105
   5   14   10  Car  Car  Car    120.110


TORSION ANGLES
   5    2    1    3      0.026
   5    2    1    4    179.974
   6    2    1    3    179.974
   6    2    1    4      0.026
   7    3    1    2    179.974
   7    3    1    4      0.026
   8    3    1    2      0.026
   8    3    1    4    179.974
  14    5    2    1    179.974
  14    5    2    6      0.026
  12    6    2    1    179.974
  12    6    2    5      0.026
  11    7    3    1    179.974
  11    7    3    8      0.026
  13    8    3    1    179.974
  13    8    3    7      0.026
  16    9   13    8    179.974
  11    9   13    8      0.026
  15   10   12    6    179.974
  14   10   12    6      0.026
   9   11    7    3      0.026
  10   12    6    2      0.026
   9   13    8    3      0.026
  10   14    5    2      0.026
   7   11    9   13      0.026
   7   11    9   16    179.974
   5   14   10   12      0.026
   5   14   10   15    179.974