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Potassium 3-hydroxyphenyltrifluoroborate
Potassium 3-hydroxyphenyltrifluoroborate ID: B198939
CAS:871231-45-7
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:[B-](c1cc(O)ccc1)(F)(F)F.[K+]	
FORMULA: C6H5BF3KO
MASS: 200.0078
EXACT MASS: 200.0022615
INTERATOMIC DISTANCES

              B   1      C   2      C   3      F   4      F   5      F   6
              ------------------------------------------------------------------
   B   1    0.0000 
   C   2    0.8338     0.0000 
   C   3    1.5352     0.8291     0.0000 
   F   4    0.8309     1.1750     2.0041     0.0000 
   F   5    0.8250     1.5314     2.3184     0.6337     0.0000 
   F   6    0.8277     1.4412     1.8402     1.6016     1.3101     0.0000 
   C   7    2.2464     1.4315     0.8233     2.5206     2.9572     2.6534 
   K   8    1.3247     2.1194     2.6438     1.8144     1.2663     0.8332 
   O   9    2.9517     2.1808     1.4224     3.3150     3.7102     3.2174 
   C  10    1.3158     0.8233     1.4315     1.0464     1.6434     2.1044 
   C  11    2.1045     1.4292     1.6523     1.8534     2.4655     2.8456 
   C  12    2.4679     1.6523     1.4292     2.4639     3.0180     3.0670 

              C   7      K   8      O   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   K   8    3.4410     0.0000 
   O   9    0.8209     4.0404     0.0000 
   C  10    1.6541     2.6187     2.4750     0.0000 
   C  11    1.4336     3.4245     2.1848     0.8269     0.0000 
   C  12    0.8269     3.7716     1.4286     1.4336     0.8291     0.0000 




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


BOND ANGLES
   2    1    4  Car   B3    F     89.801
   2    1    5  Car   B3    F    134.801
   2    1    6  Car   B3    F    120.324
   4    1    5    F   B3    F     45.000
   4    1    6    F   B3    F    149.876
   5    1    6    F   B3    F    104.876
   1    2    3   B3  Car  Car    134.801
   1    2   10   B3  Car  Car    105.131
   3    2   10  Car  Car  Car    120.069
   2    3    7  Car  Car  Car    120.069
   3    7    9  Car  Car   O3    119.782
   3    7   12  Car  Car  Car    120.009
   9    7   12   O3  Car  Car    120.209
   2   10   11  Car  Car  Car    120.009
  10   11   12  Car  Car  Car    119.923
   7   12   11  Car  Car  Car    119.923


TORSION ANGLES
   3    2    1    4    179.974
   3    2    1    5    179.974
   3    2    1    6      0.026
  10    2    1    4      0.026
  10    2    1    5      0.026
  10    2    1    6    179.974
   7    3    2    1    179.974
   7    3    2   10      0.026
   9    7    3    2    179.974
  12    7    3    2      0.026
  11   10    2    1    179.974
  11   10    2    3      0.026
  12   11   10    2      0.026
  11   12    7    3      0.026
  11   12    7    9    179.974
  10   11   12    7      0.026