chempirical

2-(2-Bromo-5-fluorophenyl)acetic acid

C8H6BrFO2CAS 739336-26-6233.04 g/mol

Open in Covalent MOL file
FOOHBr
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
739336-26-6
SMILES
C1=CC(=C(C=C1F)CC(=O)O)Br
InChIKey
BPNWLZNAKZSBHH-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrFO2/c9-7-2-1-6(10)3-5(7)4-8(11)12/h1-3H,4H2,(H,11,12)

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Names and synonyms

1 names
  • 2-Bromo-5-fluorophenylacetic acid

Work with 2-(2-Bromo-5-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

2,5-Dibromobenzeneacetic acid203314-28-767 % similar 2,5-Difluorobenzeneacetic acid85068-27-567 % similar 2-(2-Bromo-5-chlorophenyl)acetic acid81682-38-463 % similar 2,4-Difluorophenylacetic acid81228-09-362 % similar 2-Bromo-4,5-difluorophenylacetic acid883502-07-662 % similar 2-Bromophenylacetic acid18698-97-060 % similar 2-Chloro-4-fluorobenzeneacetic acid177985-32-959 % similar 5-Fluoro-2-methoxybenzeneacetic acid383134-85-859 % 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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