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4-BUTOXY-2,3,5,6-TETRAFLUOROPHENYLBORONIC ACID
4-BUTOXY-2,3,5,6-TETRAFLUOROPHENYLBORONIC ACID
ID: BP-12139
CAS:871126-19-1
Supplier:BroadPharm

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SMILES:c1(c(c(c(c(c1F)F)OCCCC)F)F)B(O)O	
FORMULA: C10H11BF4O3
MASS: 265.9972
EXACT MASS: 266.0737375
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.2471     0.0000 
   C   3    1.2507     2.1625     0.0000 
   C   4    2.1654     2.4978     1.2500     0.0000 
   C   5    2.1634     1.2500     2.4978     2.1625     0.0000 
   C   6    2.5000     2.1634     2.1654     1.2507     1.2471     0.0000 
   B   7    1.2500     2.1634     2.1654     3.3074     3.3061     3.7500 
   F   8    2.1667     3.3055     1.2508     2.1655     3.7485     3.3083 
   F   9    2.1625     1.2507     3.3054     3.7484     2.1654     3.3055 
   F  10    3.3055     2.1654     3.7484     3.3054     1.2507     2.1625 
   F  11    3.3083     3.7485     2.1655     1.2508     3.3055     2.1667 
   O  12    3.7500     3.3061     3.3074     2.1654     2.1634     1.2500 
   O  13    2.1634     2.5000     3.3055     4.3288     3.7500     4.5061 
   O  14    2.1654     3.3055     2.5000     3.7500     4.3288     4.5071 
   C  15    4.5061     3.7500     4.3288     3.3055     2.5000     2.1634 
   C  16    5.7276     5.0000     5.4476     4.3288     3.7500     3.3061 
   C  17    6.6135     5.7284     6.4943     5.4476     4.5071     4.3288 
   C  18    7.8055     6.9598     7.6027     6.4943     5.7284     5.4476 

              B   7      F   8      F   9      F  10      F  11      O  12
              ------------------------------------------------------------------
   B   7    0.0000 
   F   8    2.5014     0.0000 
   F   9    2.4978     4.3292     0.0000 
   F  10    4.3288     4.9992     2.5000     0.0000 
   F  11    4.3309     2.5000     4.9992     4.3292     0.0000 
   O  12    5.0000     4.3309     4.3288     2.4978     2.5014     0.0000 
   O  13    1.2471     3.7485     2.1654     4.5071     5.4476     5.7276 
   O  14    1.2507     2.1655     3.7484     5.4476     4.5071     5.7284 
   C  15    5.7276     5.4476     4.5071     2.1654     3.7485     1.2471 
   C  16    6.9592     6.4943     5.7284     3.3074     4.5057     2.1634 
   C  17    7.8055     7.6029     6.2500     3.7500     5.7275     3.3055 
   C  18    9.0133     8.6598     7.5000     5.0000     6.6138     4.3288 

              O  13      O  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   O  13    0.0000 
   O  14    2.1625     0.0000 
   C  15    6.2500     6.6135     0.0000 
   C  16    7.5000     7.8055     1.2500     0.0000 
   C  17    8.1969     8.7493     2.1654     1.2507     0.0000 
   C  18    9.4374     9.9210     3.3074     2.1654     1.2500     0.0000 




ATOMIC CHARGES
   C   1    0.0000000000
   C   2    0.0000000000
   C   3    0.0000000000
   C   4    0.0000000000
   C   5    0.0000000000
   C   6    0.0000000000
   B   7    0.0000000000
   F   8    0.0000000000
   F   9    0.0000000000
   F  10    0.0000000000
   F  11    0.0000000000
   O  12    0.0000000000
   O  13    0.0000000000
   O  14    0.0000000000
   C  15    0.0000000000
   C  16    0.0000000000
   C  17    0.0000000000
   C  18    0.0000000000


BOND ANGLES
   2    1    3  Car  Car  Car    119.941
   2    1    7  Car  Car   B2    120.077
   3    1    7  Car  Car   B2    119.982
   1    2    5  Car  Car  Car    120.077
   1    2    9  Car  Car    F    119.941
   5    2    9  Car  Car    F    119.982
   1    3    4  Car  Car  Car    119.982
   1    3    8  Car  Car    F    120.037
   4    3    8  Car  Car    F    119.980
   3    4    6  Car  Car  Car    119.982
   3    4   11  Car  Car    F    119.980
   6    4   11  Car  Car    F    120.037
   2    5   10  Car  Car    F    119.982
   2    5    6  Car  Car  Car    120.077
   6    5   10  Car  Car    F    119.941
   4    6   12  Car  Car   O3    119.982
   4    6    5  Car  Car  Car    119.941
   5    6   12  Car  Car   O3    120.077
   1    7   13  Car   B2   O3    120.077
   1    7   14  Car   B2   O3    119.982
  13    7   14   O3   B2   O3    119.941
   6   12   15  Car   O3   C3    120.077
  12   15   16   O3   C3   C3    120.077
  15   16   17   C3   C3   C3    119.982
  16   17   18   C3   C3   C3    119.982


TORSION ANGLES
   5    2    1    3      0.026
   5    2    1    7    179.974
   9    2    1    3    179.974
   9    2    1    7      0.026
   4    3    1    2      0.026
   4    3    1    7    179.974
   8    3    1    2    179.974
   8    3    1    7      0.026
   6    4    3    1      0.026
   6    4    3    8    179.974
  11    4    3    1    179.974
  11    4    3    8      0.026
  10    5    2    1    179.974
  10    5    2    9      0.026
   6    5    2    1      0.026
   6    5    2    9    179.974
  12    6    4    3    179.974
  12    6    4   11      0.026
   5    6    4    3      0.026
   5    6    4   11    179.974
  13    7    1    2      0.026
  13    7    1    3    179.974
  14    7    1    2    179.974
  14    7    1    3      0.026
  15   12    6    4    179.974
  15   12    6    5      0.026
  16   15   12    6    179.974
  17   16   15   12    179.974
  18   17   16   15    179.974
   4    6    5    2      0.026
   4    6    5   10    179.974
  12    6    5    2    179.974
  12    6    5   10      0.026