AG008G53

864674-02-2 | 1-(2-Bromopyridin-4-yl)ethanone

AG008G53

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CAS Number	864674-02-2
Catalog Number	AG008G53(AGN-PC-003PN9)
Chemical Name	1-(2-Bromopyridin-4-yl)ethanone
IUPAC Name	1-(2-bromopyridin-4-yl)ethanone
InChI	InChI=1S/C7H6BrNO/c1-5(10)6-2-3-9-7(8)4-6/h2-4H,1H3
InChI Key	OCOXYYMZTJBJJN-UHFFFAOYSA-N
MDL Number	MFCD07367876
Molecular Formula	C7H6BrNO
Molecular Weight	200.0326
SMILES	C(=O)(C)c1cc(Br)ncc1
Synonyms	1-(2-Bromopyridin-4-yl)ethanone, 864674-02-2, 4-Acetyl-2-bromopyridine, 2-bromo-4-acetylpyridine, 1-(2-BROMO-PYRIDIN-4-YL)-ETHANONE, 1-(2-BROMOPYRIDIN-4-YL)ETHAN-1-ONE, 2-BROMO-4-ACETYL PYRIDINE, AK-36607, J-400248, PYBA11, SCHEMBL220172, CTK5F6683, DTXSID50568064, OCOXYYMZTJBJJN-UHFFFAOYSA-N, 1-(2-Bromo-4-pyridinyl)ethanone, 1-(2-bromopyridin-4-yl)-ethanone, 3551AC, ANW-72500, MFCD07367876, ZINC15443003, Ethanone,1-(2-bromo-4-pyridinyl)-, AKOS015966228, AB31302, FCH1382811, AJ-67457, DS-12710, SC-28947, AX8071736, ST2418596, TC-161245, CS-0042748, A25568, Z-5901, 5-acetyl-2-bromopyridine;1-(6-Bromopyridin-3-yl)ethan-1-one, C7H6BrNO, 5-Acetyl-2-bromopyridine, 1-(6-BROMO-PYRIDIN-3-YL)-ETHANONE, 139042-59-4,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.963g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	200.035g/mol
Monoisotopic Mass	198.963g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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