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189876-74-2 | 2,2'-Bipyridinium, 1,1'-bis(phenylmethyl)-, bromide (1:2)
CAS No: 189876-74-2 Catalog No: AG002E2L MDL No:
Product Description
Catalog Number:
AG002E2L
Chemical Name:
2,2'-Bipyridinium, 1,1'-bis(phenylmethyl)-, bromide (1:2)
CAS Number:
189876-74-2
Molecular Formula:
C24H22Br2N2
Molecular Weight:
498.2529
IUPAC Name:
1-benzyl-2-(1-benzylpyridin-1-ium-2-yl)pyridin-1-ium;dibromide
InChI:
InChI=1S/C24H22N2.2BrH/c1-3-11-21(12-4-1)19-25-17-9-7-15-23(25)24-16-8-10-18-26(24)20-22-13-5-2-6-14-22;;/h1-18H,19-20H2;2*1H/q+2;;/p-2
InChI Key:
VLEOUHDFLFEMBD-UHFFFAOYSA-L
SMILES:
c1ccc(cc1)C[n+]1ccccc1c1cccc[n+]1Cc1ccccc1.[Br-].[Br-]
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
498.013g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
498.262g/mol
Monoisotopic Mass:
496.015g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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