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106867-97-4 | 1,1''-(1,4-Phenylenebis(methylene))bis(([4,4'-bipyridin]-1-ium)) bromide
CAS No: 106867-97-4 Catalog No: AG003D6S MDL No:MFCD03844804
Product Description
Catalog Number:
AG003D6S
Chemical Name:
1,1''-(1,4-Phenylenebis(methylene))bis(([4,4'-bipyridin]-1-ium)) bromide
CAS Number:
106867-97-4
Molecular Formula:
C28H24Br2N4
Molecular Weight:
576.3250
MDL Number:
MFCD03844804
IUPAC Name:
4-pyridin-4-yl-1-[[4-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium;dibromide
InChI:
InChI=1S/C28H24N4.2BrH/c1-2-24(22-32-19-11-28(12-20-32)26-7-15-30-16-8-26)4-3-23(1)21-31-17-9-27(10-18-31)25-5-13-29-14-6-25;;/h1-20H,21-22H2;2*1H/q+2;;/p-2
InChI Key:
QSNYIUIZTNLTGX-UHFFFAOYSA-L
SMILES:
n1ccc(cc1)c1cc[n+](cc1)Cc1ccc(cc1)C[n+]1ccc(cc1)c1ccncc1.[Br-].[Br-]
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
576.035g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
576.336g/mol
Monoisotopic Mass:
574.037g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
33.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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