5-Bromo-2-hydroxy-4-methylacetophenone

CAT: 0127-OR345357-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR345357-01Size:250 mg

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CAS Number

50342-17-1

MDL Number

MFCD11045601

Purity

98%

Smiles

CC(=O)c1cc(Br)c(C)cc1O

Chemical Information

1-(4-Bromo-2-hydroxy-5-methylphenyl)ethan-1-one

CAS Number	50342-17-1
PubChem CID	42553093
IUPAC Name	1-(4-bromo-2-hydroxy-5-methylphenyl)ethanone
Molecular Formula	C9H9BrO2
Molecular Weight	229.07
XLogP	2.9
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	181

SMILES

CC1=CC(=C(C=C1Br)O)C(=O)C

InChI

InChI=1S/C9H9BrO2/c1-5-3-7(6(2)11)9(12)4-8(5)10/h3-4,12H,1-2H3

InChIKey

BPQABGQSVOUODJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 50342-17-1

CID: 42553093

Formula: C9H9BrO2

MW: 229.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.07
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	227.97859
Monoisotopic Mass	227.97859
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	181
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1126-01	2'-Hydroxy-5'-methylacetophenone
OR1891-01	4'-Hydroxy-2'-methylacetophenone
OR1116-01	5'-Chloro-2'-hydroxy-4'-methylacetophenone
BUP18933	2'-Hydroxy-4'-methylacetophenone
PC501547	5'-Bromo-2'-fluoro-4'-methylacetophenone
OR0526-01	4'-Hydroxy-3'-methylacetophenone
OR400653-01	3'-Bromo-5'-methylacetophenone
OR918759-01	3'-Hydroxy-4'-methylacetophenone
OR345335-01	3-Bromo-4-methylacetophenone
OR400663-01	4’-Bromo-3’-methylacetophenone

Catalog	Name
sc-277784	4'-Bromo-2'-hydroxy-5'-methylacetophenone
266484-01	5'-Bromo-2'-hydroxy-4'-methylacetophenone
161827	5-Bromo-2-hydroxy-4-methylacetophenone
234422-01	5'-Bromo-2'-hydroxy-4'-methylacetophenone ≥97% (GC)
GTR19270078-01	2'-Hydroxy-5'-methylacetophenone
FH33098-01	2-Hydroxy-5-methylacetophenone
270083-01	5'-Chloro-2'-hydroxy-4'-methylacetophenone
sc-233116	4'-Hydroxy-2'-methylacetophenone
sc-231252	2'-Hydroxy-4'-methylacetophenone
GTR19277398-01	4′-Hydroxy-2′-methylacetophenone