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3,5-DIFLUOROPHENYLBORONIC ACID
3,5-DIFLUOROPHENYLBORONIC ACID
ID: BP-12141
CAS:156545-07-2
Supplier:BroadPharm

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SMILES:c1(B(O)O)cc(cc(c1)F)F	
FORMULA: C6H5BF2O2
MASS: 157.9105
EXACT MASS: 158.0350662
INTERATOMIC DISTANCES

              C   1      B   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   B   2    1.4327     0.0000 
   C   3    1.4250     2.4654     0.0000 
   C   4    1.4692     2.5417     2.4868     0.0000 
   C   5    2.5042     3.8189     2.8813     1.4001     0.0000 
   C   6    2.4868     3.8001     1.4692     2.8250     2.4466     0.0000 
   C   7    2.8813     4.3139     2.5042     2.4466     1.4250     1.4001 
   O   8    2.4875     1.4218     2.8668     3.8435     4.9917     4.3357 
   O   9    2.4654     1.4250     3.7636     2.9139     4.3139     4.9520 
   F  10    3.7933     4.9750     4.2968     2.4334     1.4156     3.7412 
   F  11    3.8201     4.9949     2.5296     4.2876     3.7803     1.4626 

              C   7      O   8      O   9      F  10      F  11
              -------------------------------------------------------
   C   7    0.0000 
   O   8    5.1911     0.0000 
   O   9    5.1669     2.4591     0.0000 
   F  10    2.4652     6.2537     5.1705     0.0000 
   F  11    2.4691     5.2259     6.2609     4.9342     0.0000 



ATOMIC CHARGES
   C   1    0.0000000000
   B   2    0.0000000000
   C   3    0.0000000000
   C   4    0.0000000000
   C   5    0.0000000000
   C   6    0.0000000000
   C   7    0.0000000000
   O   8    0.0000000000
   O   9    0.0000000000
   F  10    0.0000000000
   F  11    0.0000000000


BOND ANGLES
   2    1    3   B2  Car  Car    119.249
   2    1    4   B2  Car  Car    122.297
   3    1    4  Car  Car  Car    118.454
   1    2    8  Car   B2   O3    121.256
   1    2    9  Car   B2   O3    119.249
   8    2    9   O3   B2   O3    119.495
   1    3    6  Car  Car  Car    118.454
   1    4    5  Car  Car  Car    121.547
   4    5    7  Car  Car  Car    119.999
   4    5   10  Car  Car    F    119.585
   7    5   10  Car  Car    F    120.416
   3    6   11  Car  Car    F    119.269
   3    6    7  Car  Car  Car    121.547
   7    6   11  Car  Car    F    119.184
   5    7    6  Car  Car  Car    119.999


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