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Home > Fluorides > 457601-32-0
457601-32-0 | 2,4,6-Triphenyl-1-[(2-phenyl-2H-1,2,3,4-tetrazol-5-yl)methyl]pyridin-1-ium tetrafluoroborate
CAS No: 457601-32-0 Catalog No: AG01EW2A MDL No:
Product Description
Catalog Number:
AG01EW2A
Chemical Name:
2,4,6-Triphenyl-1-[(2-phenyl-2H-1,2,3,4-tetrazol-5-yl)methyl]pyridin-1-ium tetrafluoroborate
CAS Number:
457601-32-0
Molecular Formula:
C31H24BF4N5
Molecular Weight:
553.3604
IUPAC Name:
2,4,6-triphenyl-1-[(2-phenyltetrazol-5-yl)methyl]pyridin-1-ium;tetrafluoroborate
InChI:
InChI=1S/C31H24N5.BF4/c1-5-13-24(14-6-1)27-21-29(25-15-7-2-8-16-25)35(30(22-27)26-17-9-3-10-18-26)23-31-32-34-36(33-31)28-19-11-4-12-20-28;2-1(3,4)5/h1-22H,23H2;/q+1;-1
InChI Key:
AYBKKBBLBWHEGL-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cc(c2ccccc2)[n+](c(c1)c1ccccc1)Cc1nnn(n1)c1ccccc1.F[B-](F)(F)F
Properties
Complexity:
639
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
553.206g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
553.372g/mol
Monoisotopic Mass:
553.206g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
47.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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