2-(4-Bromo-2,6-difluorophenyl)acetic acid

C₈H₅BrF₂O₂CAS 537033-54-8251.03 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₅BrF₂O₂
Molar mass: 251.03 g/mol
Exact mass: 249.9441 Da
logP: 2.35Crippen estimate
Polar surface area: 37.3 Å²
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

537033-54-8

SMILES

C1=C(C=C(C(=C1F)CC(=O)O)F)Br

InChIKey

GBFFYYLXGIHKLU-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrF2O2/c9-4-1-6(10)5(3-8(12)13)7(11)2-4/h1-2H,3H2,(H,12,13)

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Names and synonyms

1 names

4-Bromo-2,6-difluorophenylacetic acid

Work with 2-(4-Bromo-2,6-difluorophenyl)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

2,4,6-Trifluorobenzeneacetic acid209991-63-969 % similar 2-(4-Bromo-2-fluorophenyl)acetic acid114897-92-664 % similar 2,6-Difluorobenzeneacetic acid85068-28-661 % similar 2,6-Difluoro-4-methoxyphenylacetic acid886498-98-259 % similar 4-Bromophenylacetic acid1878-68-853 % similar 2,3,6-Trifluorophenylacetic acid114152-23-753 % similar 3-Bromo-4-fluorophenylacetic acid194019-11-953 % similar 2-Chloro-6-fluorobenzeneacetic acid37777-76-753 % similar

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

Same formula

Methyl 4-bromo-2,6-difluorobenzoate773134-11-5 Methyl 2-bromo-4,5-difluorobenzoate878207-28-4 2-Bromo-4,5-difluorophenylacetic acid883502-07-6

Elsewhere

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