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(4-fluoro-3-methylphenyl)boronic acid
(4-fluoro-3-methylphenyl)boronic acid
ID: BP-11198
CAS:139911-27-6
Supplier:BroadPharm

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SMILES:B(c1cc(c(cc1)F)C)(O)O	
FORMULA: C7H8BFO2
MASS: 153.9466
EXACT MASS: 154.0601381
INTERATOMIC DISTANCES

              B   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   B   1    0.0000 
   C   2    1.2500     0.0000 
   C   3    2.1676     1.2543     0.0000 
   C   4    3.3088     2.1676     1.2500     0.0000 
   C   5    3.7500     2.5000     2.1676     1.2543     0.0000 
   C   6    2.1654     1.2507     2.1708     2.5050     2.1654     0.0000 
   C   7    3.3074     2.1654     2.5050     2.1708     1.2507     1.2500 
   O   8    1.2507     2.1654     3.3109     4.3330     4.5071     2.5000 
   O   9    1.2543     2.1676     2.5000     3.7500     4.5081     3.3109 
   F  10    5.0000     3.7500     3.3088     2.1676     1.2500     3.3074 
   C  11    4.3309     3.3083     2.1634     1.2471     2.1667     3.7521 

              C   7      O   8      O   9      F  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   O   8    3.7500     0.0000 
   O   9    4.3330     2.1708     0.0000 
   F  10    2.1654     5.7284     5.7292     0.0000 
   C  11    3.3096     5.4501     4.5061     2.5014     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
   O   8    0.0000000000
   O   9    0.0000000000
   F  10    0.0000000000
   C  11    0.0000000000


BOND ANGLES
   2    1    8  Car   B2   O3    119.982
   2    1    9  Car   B2   O3    119.887
   8    1    9   O3   B2   O3    120.131
   1    2    3   B2  Car  Car    119.887
   1    2    6   B2  Car  Car    119.982
   3    2    6  Car  Car  Car    120.131
   2    3    4  Car  Car  Car    119.887
   3    4   11  Car  Car   C3    120.077
   3    4    5  Car  Car  Car    119.887
   5    4   11  Car  Car   C3    120.037
   7    5   10  Car  Car    F    119.982
   4    5    7  Car  Car  Car    120.131
   4    5   10  Car  Car    F    119.887
   2    6    7  Car  Car  Car    119.982
   5    7    6  Car  Car  Car    119.982


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