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Potassium 4-hydroxyphenyltrifluoroborate |
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ID: B198940 CAS:1015082-71-9 Supplier:BEYOND PHARMATECH CORPORATION LIMITED 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
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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
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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
8 9 7 Car Car Car 119.923
9 7 2 Car Car Car 120.009
7 9 8 Car Car Car 119.923
9 8 10 Car Car Car 119.923
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
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