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26501-61-1 | 4,4'-Bipyridinium, 1,1'-diphenyl-, bromide (1:2)
CAS No: 26501-61-1 Catalog No: AG002THQ MDL No:
Product Description
Catalog Number:
AG002THQ
Chemical Name:
4,4'-Bipyridinium, 1,1'-diphenyl-, bromide (1:2)
CAS Number:
26501-61-1
Molecular Formula:
C22H18Br2N2
Molecular Weight:
470.1997
IUPAC Name:
1-phenyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;dibromide
InChI:
InChI=1S/C22H18N2.2BrH/c1-3-7-21(8-4-1)23-15-11-19(12-16-23)20-13-17-24(18-14-20)22-9-5-2-6-10-22;;/h1-18H;2*1H/q+2;;/p-2
InChI Key:
QBHZBEKRSGUBEA-UHFFFAOYSA-L
SMILES:
c1ccc(cc1)[n+]1ccc(cc1)c1cc[n+](cc1)c1ccccc1.[Br-].[Br-]
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
469.982g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
470.208g/mol
Monoisotopic Mass:
467.984g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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