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7250-28-4 | 4-Methyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide
CAS No: 7250-28-4 Catalog No: AG01EX3W MDL No:
Product Description
Catalog Number:
AG01EX3W
Chemical Name:
4-Methyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide
CAS Number:
7250-28-4
Molecular Formula:
C14H14BrNO
Molecular Weight:
292.1711
IUPAC Name:
2-(4-methylpyridin-1-ium-1-yl)-1-phenylethanone;bromide
InChI:
InChI=1S/C14H14NO.BrH/c1-12-7-9-15(10-8-12)11-14(16)13-5-3-2-4-6-13;/h2-10H,11H2,1H3;1H/q+1;/p-1
InChI Key:
PFEUVYMCPGZOPM-UHFFFAOYSA-M
SMILES:
Cc1cc[n+](cc1)CC(=O)c1ccccc1.[Br-]
NSC Number:
27029
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.026g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.176g/mol
Monoisotopic Mass:
291.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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