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Home > Pyridines > 264918-96-9
264918-96-9 | 4,4'-Bipyridinium, 1-(4-acetylphenyl)-, chloride (1:1)
CAS No: 264918-96-9 Catalog No: AG002TG9 MDL No:
Product Description
Catalog Number:
AG002TG9
Chemical Name:
4,4'-Bipyridinium, 1-(4-acetylphenyl)-, chloride (1:1)
CAS Number:
264918-96-9
Molecular Formula:
C18H16ClN2O+
Molecular Weight:
311.7854
IUPAC Name:
1-[4-(4-pyridin-1-ium-4-ylpyridin-1-ium-1-yl)phenyl]ethanone;dichloride
InChI:
InChI=1S/C18H15N2O.2ClH/c1-14(21)15-2-4-18(5-3-15)20-12-8-17(9-13-20)16-6-10-19-11-7-16;;/h2-13H,1H3;2*1H/q+1;;/p-1
InChI Key:
DBUQLLIMUIXAJL-UHFFFAOYSA-M
SMILES:
CC(=O)c1ccc(cc1)[n+]1ccc(cc1)c1cc[nH+]cc1.[Cl-]
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.064g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.239g/mol
Monoisotopic Mass:
346.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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