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6012-20-0

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Basic Information
CAS No.: 6012-20-0
Name: 3-Benzoyl-1-MethylpyridiniuM broMide
Molecular Structure:
Molecular Structure of 6012-20-0 (3-Benzoyl-1-MethylpyridiniuM broMide)
Formula: C13H12NO
Molecular Weight: 198.2399
Synonyms: 3-Benzoyl-1-methylpyridinium;(1-Methylpyridin-1-ium-3-yl)-phenylmethanone;
PSA: 20.95000
LogP: -1.25390
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Specification

The (1-Methylpyridin-5-yl)-phenyl-methanone, with the CAS registry number of 6012-20-0, is also known as 3-Benzoyl-1-methylpyridinium. The molecular formula of this chemical is C13H12NO and its molecular weight is 198.2399. What's more, its IUPAC name is (1-Methylpyridin-1-ium-3-yl)-phenylmethanone.

Physical properties about (1-Methylpyridin-5-yl)-phenyl-methanone are: (1)XLogP3-AA 2.3; (2)H-Bond Donor 0; (3)H-Bond Acceptor 1; (4)Rotatable Bond Count 2; (5)Exact Mass 198.091889; (6)MonoIsotopic Mass 198.091889; (7)Topological Polar Surface Area 21; (8)Heavy Atom Count 15; (9)Formal Charge 1; (10)Complexity 221; (11)Isotope Atom Count 0; (12)Defined Atom StereoCenter Count 0; (13)Undefined Atom StereoCenter Count 0; (14)Defined Bond StereoCenter Count 0 ; (15)Undefined Bond StereoCenter Count 0; (16)Covalently-Bonded Unit Count 1.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc[n+](c1)C)c2ccccc2
(2) InChI: InChI=1/C13H12NO/c1-14-9-5-8-12(10-14)13(15)11-6-3-2-4-7-11/h2-10H,1H3/q+1
(3) InChIKey: QYRCSCQNZOBIFU-UHFFFAOYAG