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142226-83-3 | Pyridinium, 1,1'-[1,3-phenylenebis(methylene)]bis[4-cyano-, dibromide (9CI)
CAS No: 142226-83-3 Catalog No: AG001I07 MDL No:
Product Description
Catalog Number:
AG001I07
Chemical Name:
Pyridinium, 1,1'-[1,3-phenylenebis(methylene)]bis[4-cyano-, dibromide (9CI)
CAS Number:
142226-83-3
Molecular Formula:
C20H16Br2N4
Molecular Weight:
472.1758
IUPAC Name:
1-[[3-[(4-cyanopyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-4-carbonitrile;dibromide
InChI:
InChI=1S/C20H16N4.2BrH/c21-13-17-4-8-23(9-5-17)15-19-2-1-3-20(12-19)16-24-10-6-18(14-22)7-11-24;;/h1-12H,15-16H2;2*1H/q+2;;/p-2
InChI Key:
VWIIBCPYNXFXRW-UHFFFAOYSA-L
SMILES:
N#Cc1cc[n+](cc1)Cc1cccc(c1)C[n+]1ccc(cc1)C#N.[Br-].[Br-]
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
471.972g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
472.184g/mol
Monoisotopic Mass:
469.974g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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