2-(2-Fluoro-5-methylphenyl)acetic acid

C9H9FO2CAS 203314-27-6168.17 g/mol

Open in Covalent MOL file
FOOH
Aryl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 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
203314-27-6
SMILES
CC1=CC(=C(C=C1)F)CC(=O)O
InChIKey
CQFSSMCJXPLZAT-UHFFFAOYSA-N
InChI
InChI=1S/C9H9FO2/c1-6-2-3-8(10)7(4-6)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)

Weigh it out

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Names and synonyms

1 names
  • 2-Fluoro-5-methylphenylacetic acid

Work with 2-(2-Fluoro-5-methylphenyl)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-Fluoro-4-methylbenzeneacetic acid518070-28-577 % similar 2,5-Dimethylbenzeneacetic acid13612-34-567 % similar 2,5-Difluorobenzeneacetic acid85068-27-567 % similar 2,4,5-Trifluorophenylacetic acid209995-38-060 % similar Lumiracoxib220991-20-858 % similar (2-Fluorophenyl)acetic acid451-82-158 % similar p-Tolylacetic acid622-47-957 % similar 2-(2,3,4-Trifluorophenyl)acetic acid243666-12-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(2-Fluorophenyl)propionic acid1643-26-1 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 3-(3-Fluorophenyl)propionic acid458-45-7

Elsewhere

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