200,000+ products from a single source!
sales@angenechem.com
58309-12-9 | 3-Hydroxy-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide
CAS No: 58309-12-9 Catalog No: AG01EWJB MDL No:
Product Description
Catalog Number:
AG01EWJB
Chemical Name:
3-Hydroxy-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide
CAS Number:
58309-12-9
Molecular Formula:
C13H12BrNO2
Molecular Weight:
294.1439
IUPAC Name:
2-(3-hydroxypyridin-1-ium-1-yl)-1-phenylethanone;bromide
InChI:
InChI=1S/C13H11NO2.BrH/c15-12-7-4-8-14(9-12)10-13(16)11-5-2-1-3-6-11;/h1-9H,10H2;1H
InChI Key:
NSYMATKZKYHECX-UHFFFAOYSA-N
SMILES:
Oc1ccc[n+](c1)CC(=O)c1ccccc1.[Br-]
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.005g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.148g/mol
Monoisotopic Mass:
293.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.