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89478-16-0 | 2,4,6-Triphenyl-1-(2-pyrimidinyl)pyridinium tetrafluoroborate
CAS No: 89478-16-0 Catalog No: AG01EYS6 MDL No:
Product Description
Catalog Number:
AG01EYS6
Chemical Name:
2,4,6-Triphenyl-1-(2-pyrimidinyl)pyridinium tetrafluoroborate
CAS Number:
89478-16-0
Molecular Formula:
C27H20BF4N3
Molecular Weight:
473.2724
IUPAC Name:
2-(2,4,6-triphenylpyridin-1-ium-1-yl)pyrimidine;tetrafluoroborate
InChI:
InChI=1S/C27H20N3.BF4/c1-4-11-21(12-5-1)24-19-25(22-13-6-2-7-14-22)30(27-28-17-10-18-29-27)26(20-24)23-15-8-3-9-16-23;2-1(3,4)5/h1-20H;/q+1;-1
InChI Key:
VTQONOCFWGYWOS-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cc(cc([n+]1c1ncccn1)c1ccccc1)c1ccccc1.F[B-](F)(F)F
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
473.169g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
473.282g/mol
Monoisotopic Mass:
473.169g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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