2-Bromo-1-(5-fluoro-2-hydroxyphenyl)ethanone

C8H6BrFO2CAS 126581-65-5233.04 g/mol

Open in Covalent MOL file
FOBrOH
Alkyl halideAryl halideKetonePhenol

Properties

Molecular formula
C8H6BrFO2
Molar mass
233.04 g/mol
Exact mass
231.9535 Da
logP
2.11Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
126581-65-5
SMILES
C1=CC(=C(C=C1F)C(=O)CBr)O
InChIKey
QFYYHGPQMZTLRB-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrFO2/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3,11H,4H2

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Names and synonyms

1 names
  • 2-Bromo-5'-fluoro-2'-hydroxyacetophenone

Work with 2-Bromo-1-(5-fluoro-2-hydroxyphenyl)ethanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5'-Fluoro-2'-hydroxypropiophenone443-09-468 % similar 2-Bromo-2',4'-difluoroacetophenone102429-07-262 % similar 2-Bromo-2'-hydroxyacetophenone2491-36-358 % similar 5-Fluorosalicylic acid345-16-457 % similar 5′-Fluoro-2′-hydroxyacetophenone394-32-155 % similar 2-Bromo-1-(4-fluorophenyl)ethan-1-one403-29-253 % similar 3-Fluorophenacyl bromide53631-18-853 % similar Methyl 5-fluoro-2-hydroxybenzoate391-92-451 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(4-Bromo-2-fluorophenyl)acetic acid114897-92-6 4-Bromo-2-fluoro-benzoic acid methyl ester179232-29-2 3-Bromo-4-fluorophenylacetic acid194019-11-9 Methyl 3-bromo-2-fluorobenzoate206551-41-9 4-Bromo-2-fluoro-5-methylbenzoic acid415965-24-1 2-Bromo-4-fluorobenzeneacetic acid61150-59-2 Methyl 2-bromo-5-fluorobenzoate6942-39-8 2-(2-Bromo-5-fluorophenyl)acetic acid739336-26-6

Elsewhere

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