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Potassium 4-hydroxyphenyltrifluoroborate
Potassium 4-hydroxyphenyltrifluoroborate ID: B198940
CAS:1015082-71-9
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:[B-](c1ccc(cc1)O)(F)(F)F.[K+]	
FORMULA: C6H5BF3KO
MASS: 200.0078
EXACT MASS: 200.0022615
INTERATOMIC DISTANCES

              B   1      C   2      F   3      F   4      F   5      C   6
              ------------------------------------------------------------------
   B   1    0.0000 
   C   2    0.8338     0.0000 
   F   3    0.8309     1.1750     0.0000 
   F   4    0.8250     1.5314     0.6337     0.0000 
   F   5    0.8277     1.4412     1.6016     1.3101     0.0000 
   C   6    1.5352     0.8291     2.0041     2.3184     1.8402     0.0000 
   C   7    1.3158     0.8233     1.0464     1.6434     2.1044     1.4315 
   C   8    2.4679     1.6523     2.4639     3.0180     3.0670     1.4292 
   C   9    2.1045     1.4292     1.8534     2.4655     2.8456     1.6523 
   C  10    2.2464     1.4315     2.5206     2.9572     2.6534     0.8233 
   K  11    1.3247     2.1194     1.8144     1.2663     0.8332     2.6438 
   O  12    3.2866     2.4735     3.2287     3.8070     3.8839     2.1803 

              C   7      C   8      C   9      C  10      K  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.4336     0.0000 
   C   9    0.8269     0.8291     0.0000 
   C  10    1.6541     0.8269     1.4336     0.0000 
   K  11    2.6187     3.7716     3.4245     3.4410     0.0000 
   O  12    2.1829     0.8212     1.4280     1.4292     4.5927     0.0000 




ATOMIC CHARGES
   B   1    0.0000000000
   C   2    0.0000000000
   F   3    0.0000000000
   F   4    0.0000000000
   F   5    0.0000000000
   C   6    0.0000000000
   C   7    0.0000000000
   C   8    0.0000000000
   C   9    0.0000000000
   C  10    0.0000000000
   K  11    0.0000000000
   O  12    0.0000000000


BOND ANGLES
   2    1    3  Car   B3    F     89.801
   2    1    4  Car   B3    F    134.801
   2    1    5  Car   B3    F    120.324
   3    1    4    F   B3    F     45.000
   3    1    5    F   B3    F    149.876
   4    1    5    F   B3    F    104.876
   1    2    6   B3  Car  Car    134.801
   1    2    7   B3  Car  Car    105.131
   6    2    7  Car  Car  Car    120.069
   2    6   10  Car  Car  Car    120.069
   2    7    9  Car  Car  Car    120.009
  10    8   12  Car  Car   O3    120.256
   9    8   10  Car  Car  Car    119.923
   9    8   12  Car  Car   O3    119.821
   7    9    8  Car  Car  Car    119.923
   6   10    8  Car  Car  Car    120.009


TORSION ANGLES
   6    2    1    3    179.974
   6    2    1    4    179.974
   6    2    1    5      0.026
   7    2    1    3      0.026
   7    2    1    4      0.026
   7    2    1    5    179.974
  10    6    2    1    179.974
  10    6    2    7      0.026
   9    7    2    1    179.974
   9    7    2    6      0.026
  12    8   10    6    179.974
   9    8   10    6      0.026
   8    9    7    2      0.026
   8   10    6    2      0.026
   7    9    8   10      0.026
   7    9    8   12    179.974