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89130-02-9 | 4,4'-Bipyridinium, 1,1'-bis(phenylacetyl)-, dibromide
CAS No: 89130-02-9 Catalog No: AG003Z4S MDL No:
Product Description
Catalog Number:
AG003Z4S
Chemical Name:
4,4'-Bipyridinium, 1,1'-bis(phenylacetyl)-, dibromide
CAS Number:
89130-02-9
Molecular Formula:
C26H22Br2N2O2
Molecular Weight:
554.2731
IUPAC Name:
2-phenyl-1-[4-[1-(2-phenylacetyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethanone;dibromide
InChI:
InChI=1S/C26H22N2O2.2BrH/c29-25(19-21-7-3-1-4-8-21)27-15-11-23(12-16-27)24-13-17-28(18-14-24)26(30)20-22-9-5-2-6-10-22;;/h1-18H,19-20H2;2*1H/q+2;;/p-2
InChI Key:
ITTDVZNDKSDNTJ-UHFFFAOYSA-L
SMILES:
O=C([n+]1ccc(cc1)c1cc[n+](cc1)C(=O)Cc1ccccc1)Cc1ccccc1.[Br-].[Br-]
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
554.003g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
554.282g/mol
Monoisotopic Mass:
552.005g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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