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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 4-Chloro-2-fluorophenylacetic acid194240-75-063 % similar 2-(2-Fluoro-4-methoxyphenyl)acetic acid883531-28-063 % similar 2,5-Dimethylbenzeneacetic acid13612-34-562 % similar 2,4,5-Trifluorophenylacetic acid209995-38-060 % similar (2-Fluorophenyl)acetic acid451-82-158 % similar p-Tolylacetic acid622-47-957 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(2-Fluorophenyl)propionic acid1643-26-1 2-(2-Fluoro-5-methylphenyl)acetic acid203314-27-6 5'-Fluoro-2'-hydroxypropiophenone443-09-4 Ethyl o-fluorobenzoate443-26-5 5-Fluoro-2-methoxyacetophenone445-82-9 Ethyl 3-fluorobenzoate451-02-5 Ethyl 4-fluorobenzoate451-46-7 1-(3-Fluoro-4-methoxyphenyl)ethanone455-91-4

Elsewhere

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