AG002JM8

208264-53-3 | Ethanone, 1-(4-bromo-2-thiazolyl)-

AG002JM8

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CAS Number	208264-53-3
Catalog Number	AG002JM8(AGN-PC-0NH2LZ)
Chemical Name	Ethanone, 1-(4-bromo-2-thiazolyl)-
IUPAC Name	1-(4-bromo-1,3-thiazol-2-yl)ethanone
InChI	InChI=1S/C5H4BrNOS/c1-3(8)5-7-4(6)2-9-5/h2H,1H3
InChI Key	YQJROTDRGHSQNZ-UHFFFAOYSA-N
MDL Number	MFCD10697512
Molecular Formula	C5H4BrNOS
Molecular Weight	206.0604
SMILES	CC(C1=NC(Br)=CS1)=O
Synonyms	208264-53-3, 1-(4-bromo-1,3-thiazol-2-yl)ethanone, 1-(4-BROMOTHIAZOL-2-YL)ETHANONE, 2-acetyl-4-bromothiazole, Ethanone, 1-(4-bromo-2-thiazolyl)-, 1-(4-bromo-1,3-thiazol-2-yl)ethan-1-one, SCHEMBL1706430, YQJROTDRGHSQNZ-UHFFFAOYSA-N, MFCD10697512, ZINC38325373, AB59795, CID11171754,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.92g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	206.057g/mol
Monoisotopic Mass	204.92g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	58.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H319
Packing Group	\N
Precautionary statements	P305+P351+P338
UN Code	\N

Certificate of Analysis

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