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4-BIPHENYLBORONIC ACID
4-BIPHENYLBORONIC ACID
ID: BP-12155
CAS:5122-94-1
Supplier:BroadPharm

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SMILES:B(c1ccc(cc1)c1ccccc1)(O)O	
FORMULA: C12H11BO2
MASS: 198.0255
EXACT MASS: 198.0852100
INTERATOMIC DISTANCES

              B   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   B   1    0.0000 
   C   2    1.3125     0.0000 
   C   3    3.9250     2.6125     0.0000 
   C   4    2.2683     1.3101     2.2683     0.0000 
   C   5    2.2662     1.3065     2.2662     2.2708     0.0000 
   C   6    3.4669     2.2683     1.3101     1.3125     2.6228     0.0000 
   C   7    3.4655     2.2662     1.3065     2.6228     1.3125     2.2708 
   C   8    5.2375     3.9250     1.3125     3.4669     3.4655     2.2683 
   O   9    1.3127     2.2771     4.7254     3.4709     2.6250     4.5454 
   O  10    1.3164     2.2792     4.7264     2.6250     3.4709     3.9375 
   C  11    6.0045     4.7223     2.2755     3.9333     4.5417     2.6208 
   C  12    6.0037     4.7213     2.2734     4.5417     3.9333     3.4677 
   C  13    7.2893     5.9964     3.4669     5.2375     5.7086     3.9250 
   C  14    7.2886     5.9956     3.4655     5.7086     5.2375     4.5346 
   C  15    7.8625     6.5500     3.9375     6.0087     6.0079     4.7264 

              C   7      C   8      O   9      O  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.2662     0.0000 
   O   9    3.9375     6.0079     0.0000 
   O  10    4.5454     6.0087     2.2708     0.0000 
   C  11    3.4677     1.3143     6.9403     6.5583     0.0000 
   C  12    2.6208     1.3106     6.5583     6.9403     2.2708     0.0000 
   C  13    4.5346     2.2683     8.1839     7.8625     1.3042     2.6187 
   C  14    3.9250     2.2662     7.8625     8.1839     2.6187     1.3042 
   C  15    4.7254     2.6250     8.6000     8.6006     2.2720     2.2699 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    2.2708     0.0000 
   C  15    1.3164     1.3127     0.0000 



ATOMIC CHARGES
   B   1    0.0000000000
   C   2    0.0000000000
   C   3    0.0000000000
   C   4    0.0000000000
   C   5    0.0000000000
   C   6    0.0000000000
   C   7    0.0000000000
   C   8    0.0000000000
   O   9    0.0000000000
   O  10    0.0000000000
   C  11    0.0000000000
   C  12    0.0000000000
   C  13    0.0000000000
   C  14    0.0000000000
   C  15    0.0000000000


BOND ANGLES
   2    1    9  Car   B2   O3    120.310
   2    1   10  Car   B2   O3    120.217
   9    1   10   O3   B2   O3    119.473
   1    2    4   B2  Car  Car    119.745
   1    2    5   B2  Car  Car    119.836
   4    2    5  Car  Car  Car    120.419
   7    3    8  Car  Car  Car    119.836
   6    3    7  Car  Car  Car    120.419
   6    3    8  Car  Car  Car    119.745
   2    4    6  Car  Car  Car    119.745
   2    5    7  Car  Car  Car    119.836
   3    6    4  Car  Car  Car    119.745
   3    7    5  Car  Car  Car    119.836
   3    8   11  Car  Car  Car    120.059
   3    8   12  Car  Car  Car    120.151
  11    8   12  Car  Car  Car    119.790
   8   11   13  Car  Car  Car    120.059
   8   12   14  Car  Car  Car    120.151
  11   13   15  Car  Car  Car    120.217
  12   14   15  Car  Car  Car    120.310
  13   15   14  Car  Car  Car    119.473


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