AG000SYX

126581-65-5 | Ethanone, 2-bromo-1-(5-fluoro-2-hydroxyphenyl)-

AG000SYX

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CAS Number	126581-65-5
Catalog Number	AG000SYX(AGN-PC-0PIBEC)
Chemical Name	Ethanone, 2-bromo-1-(5-fluoro-2-hydroxyphenyl)-
IUPAC Name	2-bromo-1-(5-fluoro-2-hydroxyphenyl)ethanone
InChI	InChI=1S/C8H6BrFO2/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3,11H,4H2
InChI Key	QFYYHGPQMZTLRB-UHFFFAOYSA-N
MDL Number	MFCD03094564
Molecular Formula	C8H6BrFO2
Molecular Weight	233.0344
SMILES	OC1=CC=C(F)C=C1C(CBr)=O
Synonyms	2-Bromo-1-(5-fluoro-2-hydroxyphenyl)ethanone, 126581-65-5, 2-Bromo-5'-fluoro-2'-hydroxyacetophenone, 5-Fluoro-2-hydroxyphenacyl bromide, Ethanone,2-bromo-1-(5-fluoro-2-hydroxyphenyl)-, ACMC-20dylq, AC1MCU9A, SCHEMBL3230200, CTK4B5248, DTXSID70381171, ACT07723, ZINC2243410, ZX-AP003306, 5002AH, MFCD03094564, PC9804, SBB098033, AKOS015912042, FCH1322774, PS-9979, VZ23879, CC-09356, SC-54168, DB-041832, RT-007469, FT-0643053, A-7638, 2-Bromo-5'-fluoro-2'-hydroxyacetophenone, 97%, 2-bromo-1-(5-fluoro-2-hydroxyphenyl)ethan-1-one, 2-Bromo-1-(5-fluoro-2-hydroxyphenyl)ethanone ., A805572, C-13650, Ethanone, 2-bromo-1-(5-fluoro-2-hydroxyphenyl)-, J-005401, 2-bromanyl-1-(5-fluoranyl-2-oxidanyl-phenyl)ethanone, I14-36470, C8H6BrFO2, ZINC02243410, CID2778875,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.954g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	233.036g/mol
Monoisotopic Mass	231.954g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H319
Packing Group	Ⅲ
Precautionary statements	P305+P351+P338
UN Code	UN 3335

Certificate of Analysis

Lot Number