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91226-09-4 | 1-(2-Hydroxy-2-phenylethyl)-2,4,6-triphenylpyridin-1-ium tetrafluoroborate
CAS No: 91226-09-4 Catalog No: AG01EZ0L MDL No:
Product Description
Catalog Number:
AG01EZ0L
Chemical Name:
1-(2-Hydroxy-2-phenylethyl)-2,4,6-triphenylpyridin-1-ium tetrafluoroborate
CAS Number:
91226-09-4
Molecular Formula:
C31H26BF4NO
Molecular Weight:
515.3489
IUPAC Name:
1-phenyl-2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanol;tetrafluoroborate
InChI:
InChI=1S/C31H26NO.BF4/c33-31(27-19-11-4-12-20-27)23-32-29(25-15-7-2-8-16-25)21-28(24-13-5-1-6-14-24)22-30(32)26-17-9-3-10-18-26;2-1(3,4)5/h1-22,31,33H,23H2;/q+1;-1
InChI Key:
HBPBSWFYCKRBTO-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.OC(c1ccccc1)C[n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
515.204g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
515.359g/mol
Monoisotopic Mass:
515.204g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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