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183540-82-1 | 4,4'-Bipyridinium, 1-(2-oxo-2-phenylethyl)-, bromide (1:1)
CAS No: 183540-82-1 Catalog No: AG0027OB MDL No:
Product Description
Catalog Number:
AG0027OB
Chemical Name:
4,4'-Bipyridinium, 1-(2-oxo-2-phenylethyl)-, bromide (1:1)
CAS Number:
183540-82-1
Molecular Formula:
C18H16BrN2O+
Molecular Weight:
356.2364
IUPAC Name:
1-phenyl-2-(4-pyridin-1-ium-4-ylpyridin-1-ium-1-yl)ethanone;dibromide
InChI:
InChI=1S/C18H15N2O.2BrH/c21-18(17-4-2-1-3-5-17)14-20-12-8-16(9-13-20)15-6-10-19-11-7-15;;/h1-13H,14H2;2*1H/q+1;;/p-1
InChI Key:
XYNANNHQXVGBOC-UHFFFAOYSA-M
SMILES:
O=C(c1ccccc1)C[n+]1ccc(cc1)c1cc[nH+]cc1.[Br-]
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.961g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
436.147g/mol
Monoisotopic Mass:
433.963g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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