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Home > Pyridines > 277307-78-5
277307-78-5 | 4,4'-Bipyridinium, 1,1'-bis[(ethenylphenyl)methyl]-, dichloride (9CI)
CAS No: 277307-78-5 Catalog No: AG002ULB MDL No:
Product Description
Catalog Number:
AG002ULB
Chemical Name:
4,4'-Bipyridinium, 1,1'-bis[(ethenylphenyl)methyl]-, dichloride (9CI)
CAS Number:
277307-78-5
Molecular Formula:
C28H26Cl2N2
Molecular Weight:
461.4254
IUPAC Name:
1-[(2-ethenylphenyl)methyl]-4-[1-[(2-ethenylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;dichloride
InChI:
InChI=1S/C28H26N2.2ClH/c1-3-23-9-5-7-11-27(23)21-29-17-13-25(14-18-29)26-15-19-30(20-16-26)22-28-12-8-6-10-24(28)4-2;;/h3-20H,1-2,21-22H2;2*1H/q+2;;/p-2
InChI Key:
XSYWKQSQRGFDBM-UHFFFAOYSA-L
SMILES:
C=Cc1ccccc1C[n+]1ccc(cc1)c1cc[n+](cc1)Cc1ccccc1C=C.[Cl-].[Cl-]
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.147g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
461.43g/mol
Monoisotopic Mass:
460.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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