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Home > Pyridines > 100906-93-2
100906-93-2 | 4,4'-Bipyridinium, 1,1'-bis(4-methoxyphenyl)-, chloride (1:2)
CAS No: 100906-93-2 Catalog No: AG000358 MDL No:
Product Description
Catalog Number:
AG000358
Chemical Name:
4,4'-Bipyridinium, 1,1'-bis(4-methoxyphenyl)-, chloride (1:2)
CAS Number:
100906-93-2
Molecular Formula:
C24H22Cl2N2O2
Molecular Weight:
441.3497
IUPAC Name:
1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;dichloride
InChI:
InChI=1S/C24H22N2O2.2ClH/c1-27-23-7-3-21(4-8-23)25-15-11-19(12-16-25)20-13-17-26(18-14-20)22-5-9-24(28-2)10-6-22;;/h3-18H,1-2H3;2*1H/q+2;;/p-2
InChI Key:
WIPFOQNMLYDUCN-UHFFFAOYSA-L
SMILES:
COc1ccc(cc1)[n+]1ccc(cc1)c1cc[n+](cc1)c1ccc(cc1)OC.[Cl-].[Cl-]
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.106g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
441.352g/mol
Monoisotopic Mass:
440.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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