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Home > Fluorides > 454696-30-1
454696-30-1 | 1-(2-Oxo-1(2H)-pyridinyl)-2,4,6-triphenylpyridinium tetrafluoroborate
CAS No: 454696-30-1 Catalog No: AG01EW1S MDL No:
Product Description
Catalog Number:
AG01EW1S
Chemical Name:
1-(2-Oxo-1(2H)-pyridinyl)-2,4,6-triphenylpyridinium tetrafluoroborate
CAS Number:
454696-30-1
Molecular Formula:
C28H21BF4N2O
Molecular Weight:
488.2838
IUPAC Name:
1-(2,4,6-triphenylpyridin-1-ium-1-yl)pyridin-2-one;tetrafluoroborate
InChI:
InChI=1S/C28H21N2O.BF4/c31-28-18-10-11-19-29(28)30-26(23-14-6-2-7-15-23)20-25(22-12-4-1-5-13-22)21-27(30)24-16-8-3-9-17-24;2-1(3,4)5/h1-21H;/q+1;-1
InChI Key:
QIEGUHNQFPKGIF-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.O=c1ccccn1[n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
643
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.168g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
488.293g/mol
Monoisotopic Mass:
488.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
24.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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