AG0082YN

111043-09-5 | 1-(3-Bromopyridin-2-yl)ethanone

AG0082YN

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CAS Number	111043-09-5
Catalog Number	AG0082YN(AGN-PC-00P8VB)
Chemical Name	1-(3-Bromopyridin-2-yl)ethanone
IUPAC Name	1-(3-bromopyridin-2-yl)ethanone
InChI	InChI=1S/C7H6BrNO/c1-5(10)7-6(8)3-2-4-9-7/h2-4H,1H3
InChI Key	SMOWKFOTFNHSBT-UHFFFAOYSA-N
MDL Number	MFCD18257141
Molecular Formula	C7H6BrNO
Molecular Weight	200.0326
SMILES	CC(C1=NC=CC=C1Br)=O
Synonyms	1-(3-Bromopyridin-2-yl)ethanone, 111043-09-5, 1-(3-Bromopyridin-2-yl)ethan-1-one, (3S,5S)-5-methylpyrrolidin-3-ol, 2-Acetyl-3-bromopyridine, SCHEMBL5313640, CTK8A9233, DTXSID30572785, 1-(3-Bromo-2-pyridinyl)ethanone, ACMC-209980, ANW-16222, MFCD18257141, ZINC74937888, AKOS015908223, DS-2002, FS-3516, KS-000025B4, AK-91392, CJ-21807, SC-87765, AB0047180, AJ-121486, TC-104967, 4CH-011716, ST24021037, Z3887, B-6441, I14-24937, C7H6BrNO, ACN-038440, 1108234-24-7,

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	\N
Hazard statements	H302-H315-H319-H332-H335
Packing Group	\N
Precautionary statements	P280-P305+P351+P338-P310
UN Code	\N

Certificate of Analysis

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