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Potassium 6-hydroxy-2-naphthalenetrifluoroborate
Potassium 6-hydroxy-2-naphthalenetrifluoroborate ID: B198941
CAS:1015082-76-4
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:[B-](c1cc2c(cc(cc2)O)cc1)(F)(F)F.[K+]	
FORMULA: C10H7BF3KO
MASS: 250.0665
EXACT MASS: 250.0179116
INTERATOMIC DISTANCES

              B   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   B   1    0.0000 
   C   2    0.8338     0.0000 
   C   3    1.3158     0.8233     0.0000 
   C   4    2.1045     1.4292     0.8269     0.0000 
   C   5    2.4621     1.6466     1.4280     0.8250     0.0000 
   C   6    3.2820     2.4684     2.1806     1.4274     0.8218     0.0000 
   C   7    1.5352     0.8291     1.4315     1.6523     1.4250     2.1729 
   C   8    2.2464     1.4315     1.6541     1.4336     0.8254     1.4209 
   F   9    0.8309     1.1750     1.0464     1.8534     2.4581     3.2263 
   F  10    0.8250     1.5314     1.6434     2.4655     3.0122     3.8039 
   F  11    0.8277     1.4412     2.1044     2.8456     3.0616     3.8780 
   C  12    2.7394     2.1795     1.4292     0.8192     1.4229     1.6458 
   C  13    3.7233     2.9693     2.4741     1.6471     1.4250     0.8248 
   C  14    3.4921     2.8500     2.1777     1.4208     1.6445     1.4300 
   K  15    1.3247     2.1194     2.6187     3.4245     3.7659     4.5877 
   O  16    4.5369     3.7702     3.2938     2.4669     2.1745     1.4250 

              C   7      C   8      F   9      F  10      F  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8233     0.0000 
   F   9    2.0041     2.5206     0.0000 
   F  10    2.3184     2.9572     0.6337     0.0000 
   F  11    1.8402     2.6534     1.6016     1.3101     0.0000 
   C  12    2.4714     2.1797     2.2800     2.9133     3.5334     0.0000 
   C  13    2.8500     2.1761     3.4899     4.1095     4.4103     1.4259 
   C  14    2.9670     2.4699     3.0881     3.7217     4.2585     0.8176 
   K  15    2.6438     3.4410     1.8144     1.2663     0.8332     4.0176 
   O  16    3.5827     2.8459     4.3072     4.9284     5.2086     2.1748 

              C  13      C  14      K  15      O  16
              --------------------------------------------
   C  13    0.0000 
   C  14    0.8292     0.0000 
   K  15    5.0480     4.7935     0.0000 
   O  16    0.8197     1.4296     5.8613     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
   C   8    0.0000000000
   F   9    0.0000000000
   F  10    0.0000000000
   F  11    0.0000000000
   C  12    0.0000000000
   C  13    0.0000000000
   C  14    0.0000000000
   K  15    0.0000000000
   O  16    0.0000000000


BOND ANGLES
   2    1    9  Car   B3    F     89.801
   2    1   10  Car   B3    F    134.801
   2    1   11  Car   B3    F    120.324
   9    1   10    F   B3    F     45.000
   9    1   11    F   B3    F    149.876
  10    1   11    F   B3    F    104.876
   1    2    3   B3  Car  Car    105.131
   1    2    7   B3  Car  Car    134.801
   3    2    7  Car  Car  Car    120.069
   2    3    4  Car  Car  Car    120.009
   3    4    5  Car  Car  Car    119.631
   3    4   12  Car  Car  Car    120.511
   5    4   12  Car  Car  Car    119.858
   4    5    6  Car  Car  Car    120.167
   4    5    8  Car  Car  Car    120.607
   6    5    8  Car  Car  Car    119.226
   5    6   13  Car  Car  Car    119.867
   2    7    8  Car  Car  Car    120.069
   5    8    7  Car  Car  Car    119.617
   4   12   14  Car  Car  Car    120.473
  14   13   16  Car  Car   O3    120.212
   6   13   14  Car  Car  Car    119.673
   6   13   16  Car  Car   O3    120.114
  12   14   13  Car  Car  Car    119.961


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