2-Fluoro-4-methylbenzeneacetic acid

C₉H₉FO₂CAS 518070-28-5168.17 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₉H₉FO₂
Molar mass: 168.17 g/mol
Exact mass: 168.0587 Da
logP: 1.76Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

518070-28-5

SMILES

Cc1ccc(CC(=O)O)c(F)c1

InChIKey

JAUQBMIRVXYHIV-UHFFFAOYSA-N

InChI

InChI=1S/C9H9FO2/c1-6-2-3-7(5-9(11)12)8(10)4-6/h2-4H,5H2,1H3,(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Benzeneacetic acid, 2-fluoro-4-methyl-
2-Fluoro-4-methylphenylacetic acid

Work with 2-Fluoro-4-methylbenzeneacetic 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-Difluorophenylacetic acid81228-09-367 % similar 2-(4-Bromo-2-fluorophenyl)acetic acid114897-92-663 % similar 2,5-Dimethylbenzeneacetic acid13612-34-562 % similar (2,4,5-Trifluorophenyl)acetic acid209995-38-060 % similar (2-Fluorophenyl)acetic acid451-82-158 % similar P-Tolylacetic acid622-47-957 % similar (3-Methylphenyl)acetic acid621-36-355 % similar Lumiracoxib220991-20-855 % similar

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

Same formula

Ethyl o-fluorobenzoate443-26-5 Ethyl 3-fluorobenzoate451-02-5 Ethyl 4-fluorobenzoate451-46-7 1-(3-Fluoro-4-methoxyphenyl)ethanone455-91-4 3-(3-Fluorophenyl)propionic acid458-45-7 3-(4-Fluorophenyl)propionic acid459-31-4 1-(4-Fluoro-2-methoxyphenyl)ethanone51788-80-8 1-(4-Fluoro-3-methoxyphenyl)ethanone64287-19-0

Elsewhere

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