AG003ELG

16883-69-5 | 1-(2-Oxo-2-phenylethyl)pyridin-1-ium bromide

AG003ELG

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CAS Number	16883-69-5
Catalog Number	AG003ELG(AGN-PC-0KL9ZE)
Chemical Name	1-(2-Oxo-2-phenylethyl)pyridin-1-ium bromide
EC Number	240-919-6
IUPAC Name	1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide
InChI	InChI=1S/C13H12NO.BrH/c15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;/h1-10H,11H2;1H/q+1;/p-1
InChI Key	PXSUMUYPXZEXDT-UHFFFAOYSA-M
MDL Number	MFCD00031995
Molecular Formula	C13H12BrNO
Molecular Weight	278.1445
NSC Number	2535
SMILES	O=C(C1=CC=CC=C1)C[N+]2=CC=CC=C2.[Br-]
Synonyms	N-phenacylpyridinium bromide, 1-Phenacylpyridinium bromide, 16883-69-5, 1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide, N-Phenacylpyridinium bromide, 1-(2-Oxo-2-phenylethyl)pyridinium bromide, 1-Phenacylpyridiniumbromide, 1-Acetophenonepyridinium Bromide, MFCD00031995, N-Phenacylpyridinium bromide, 97%, 1-(2-OXO-2-PHENYL-ETHYL)-PYRIDINIUM, BROMIDE, Phenacylpyridinium Bromide, AC1ME16Z, ACMC-1C6A6, SCHEMBL698678, SCHEMBL8470278, 1-(phenacyl)-pyridinium bromide, CTK4D3121, NSC2535, PXSUMUYPXZEXDT-UHFFFAOYSA-M, N-(Benzoylmethyl)pyridinium bromide, NSC-2535, ZX-AT028789, ANW-22377, AKOS003238468, MCULE-4970922469, RTR-007354, VZ21614, 1-Phenacylpyridinium bromide monohydrate, 1-phenyl-2-pyridylethan-1-one, bromide, CC-04955, SC-26168, 1-(BENZOYLMETHYL)PYRIDINIUM BROMIDE, DB-043768, TR-007354, FT-0608209, P0797, ST50409010, KS-00001472, 1-phenyl-2-pyridin-1-ium-1-ylethanone bromide, 1-phenyl-2-pyridinium-1-ylethan-1-one bromide, C-17487, SR-01000389061, J-010486, SR-01000389061-1, I14-47492, Pyridinium,1-(2-oxo-2-phenylethyl)-, bromide (1:1), C13H12NO.Br, C13-H12-N-O.Br, EINECS 240-919-6, CID2798954, 1-phenyl-2-pyridin-1-yl-ethanone Bromide,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	277.01g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	278.149g/mol
Monoisotopic Mass	277.01g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	21A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319
Precuationary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Siginal words

Certificate of Analysis

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