chempirical

2-(4-Bromo-3-fluorophenyl)acetic acid

C8H6BrFO2CAS 942282-40-8233.04 g/mol

Open in Covalent MOL file
OHOFBr
Aryl halideCarboxylic acid

Properties

Molecular formula
C8H6BrFO2
Molar mass
233.04 g/mol
Exact mass
231.9535 Da
logP
2.22Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
942282-40-8
SMILES
C1=CC(=C(C=C1CC(=O)O)F)Br
InChIKey
PSICSVFGBAGWMZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrFO2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12)

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Names and synonyms

1 names
  • 4-Bromo-3-fluorophenylacetic acid

Work with 2-(4-Bromo-3-fluorophenyl)acetic acid

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

(3,4-Difluorophenyl)acetic acid658-93-570 % similar 3-Fluoro-4-hydroxybenzeneacetic acid458-09-364 % similar 3-Bromo-4-hydroxyphenylacetic acid38692-80-762 % similar 2-(4-Chloro-3-fluorophenyl)acetic acid883500-51-462 % similar 2-Bromo-4,5-difluorophenylacetic acid883502-07-659 % similar 3-Fluoro-4-(trifluoromethyl)phenylacetic acid238754-67-159 % similar 3-Chloro-4-fluorophenylacetic acid705-79-358 % similar (3-Fluoro-4-methoxyphenyl)acetic acid452-14-257 % similar

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

Same formula

2-(4-Bromo-2-fluorophenyl)acetic acid114897-92-6 2-Bromo-1-(5-fluoro-2-hydroxyphenyl)ethanone126581-65-5 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

Elsewhere

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