AG003KX0

50342-17-1 | 1-(5-Bromo-2-hydroxy-4-methylphenyl)ethanone

AG003KX0

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CAS Number	50342-17-1
Catalog Number	AG003KX0(AGN-PC-001UEE)
Chemical Name	1-(5-Bromo-2-hydroxy-4-methylphenyl)ethanone
IUPAC Name	1-(4-bromo-2-hydroxy-5-methylphenyl)ethanone
InChI	InChI=1S/C9H9BrO2/c1-5-3-7(6(2)11)9(12)4-8(5)10/h3-4,12H,1-2H3
InChI Key	BPQABGQSVOUODJ-UHFFFAOYSA-N
MDL Number	MFCD08273792
Molecular Formula	C9H9BrO2
Molecular Weight	229.0706
SMILES	BrC=1C(=CC(=C(C1)C(C)=O)O)C
Synonyms	50342-17-1, 1-(4-bromo-2-hydroxy-5-methylphenyl)ethanone, 2-acetyl-4-methyl-5-bromophenol, 1-(4-Bromo-2-hydroxy-5-methylphenyl)ethan-1-one, 4'-BROMO-2'-HYDROXY-5'-METHYLACETOPHENONE, MFCD08273792, SCHEMBL168765, CTK4J2468, DTXSID10654790, BPQABGQSVOUODJ-UHFFFAOYSA-N, ZINC12359527, AKOS025295387, FCH1325779, MCULE-9432585691, ACM50342171, TX-013170, 1-acetyl-4-bromo-2-hydroxy-5-methylbenzene, 4'-BROMO-2'-HYDROXY-5'-Methyl ACETOPHENONE, 4'-Bromo-2'-hydroxy-5'-methylacetophenone, 97%, 1020253-81-9,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.979g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	229.073g/mol
Monoisotopic Mass	227.979g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number