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

C₈H₆BrFO₂CAS 126581-65-5233.04 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone Phenol

Properties

Molecular formula: C₈H₆BrFO₂
Molar mass: 233.04 g/mol
Exact mass: 231.9535 Da
logP: 2.11Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

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

2-Bromo-2',4'-difluoroacetophenone102429-07-262 % similar 2-Bromo-1-(2-hydroxyphenyl)ethanone2491-36-358 % similar 5-Fluorosalicylic acid345-16-457 % similar 5′-Fluoro-2′-hydroxyacetophenone394-32-155 % similar 4-Fluorophenacyl bromide403-29-253 % similar 5-(2-Bromoacetyl)-2-hydroxybenzamide73866-23-650 % similar (4-Chlorophenyl)(5-fluoro-2-hydroxyphenyl)methanone62433-26-548 % similar 2-Chloro-4-fluorophenol1996-41-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(4-Bromo-2-fluorophenyl)acetic acid114897-92-6 Methyl 3-bromo-2-fluorobenzoate206551-41-9 2-Bromo-4-fluorobenzeneacetic acid61150-59-2 Methyl 2-bromo-5-fluorobenzoate6942-39-8 Methyl 3-bromo-4-fluorobenzoate82702-31-6

Elsewhere

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