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19081-17-5 | 2,2'-Bipyridinium, 1-[2-(4-methylphenyl)-2-oxoethyl]-, bromide (1:1)
CAS No: 19081-17-5 Catalog No: AG002ETV MDL No:
Product Description
Catalog Number:
AG002ETV
Chemical Name:
2,2'-Bipyridinium, 1-[2-(4-methylphenyl)-2-oxoethyl]-, bromide (1:1)
CAS Number:
19081-17-5
Molecular Formula:
C19H18BrN2O+
Molecular Weight:
370.2630
IUPAC Name:
1-(4-methylphenyl)-2-(2-pyridin-2-ylpyridin-1-ium-1-yl)ethanone;bromide
InChI:
InChI=1S/C19H17N2O.BrH/c1-15-8-10-16(11-9-15)19(22)14-21-13-5-3-7-18(21)17-6-2-4-12-20-17;/h2-13H,14H2,1H3;1H/q+1;/p-1
InChI Key:
BBPZIQUGQSQHDR-UHFFFAOYSA-M
SMILES:
Cc1ccc(cc1)C(=O)C[n+]1ccccc1c1cccc[nH+]1.[Br-]
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.052g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.262g/mol
Monoisotopic Mass:
368.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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