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Home > Pyridines > 139328-08-8
139328-08-8 | 4,4'-Bipyridinium, 1-[(4-methylphenyl)methyl]-, chloride (1:1)
CAS No: 139328-08-8 Catalog No: AG001ARS MDL No:
Product Description
Catalog Number:
AG001ARS
Chemical Name:
4,4'-Bipyridinium, 1-[(4-methylphenyl)methyl]-, chloride (1:1)
CAS Number:
139328-08-8
Molecular Formula:
C18H18ClN2+
Molecular Weight:
297.8019
IUPAC Name:
1-[(4-methylphenyl)methyl]-4-pyridin-1-ium-4-ylpyridin-1-ium;dichloride
InChI:
InChI=1S/C18H17N2.2ClH/c1-15-2-4-16(5-3-15)14-20-12-8-18(9-13-20)17-6-10-19-11-7-17;;/h2-13H,14H2,1H3;2*1H/q+1;;/p-1
InChI Key:
KVPCWYHNRWNNAV-UHFFFAOYSA-M
SMILES:
Cc1ccc(cc1)C[n+]1ccc(cc1)c1cc[nH+]cc1.[Cl-]
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.085g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.256g/mol
Monoisotopic Mass:
332.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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