3-(2-Fluorophenyl)propionic acid

C₉H₉FO₂CAS 1643-26-1168.17 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: 1.84Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed87% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1643-26-1

SMILES

C1=CC=C(C(=C1)CCC(=O)O)F

InChIKey

GUZLQEOSDXLCKX-UHFFFAOYSA-N

InChI

InChI=1S/C9H9FO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6H2,(H,11,12)

Weigh it out

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

Names and synonyms

1 names

3-(2-Fluorophenyl)propanoic acid

Work with 3-(2-Fluorophenyl)propionic 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-Fluorophenyl)acetic acid451-82-169 % similar 3-(2-Bromophenyl)propionic acid15115-58-962 % similar Melilotic acid495-78-362 % similar 3-(4-Bromo-2-fluorophenyl)propanoic acid134057-95-761 % similar 3-(2-Chlorophenyl)propionic acid1643-28-360 % similar 3-(2-Methylphenyl)propionic acid22084-89-560 % similar 2-(Trifluoromethyl)benzenepropanoic acid94022-99-859 % similar 3-(1-Naphthyl)-propionic acid3243-42-358 % similar

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

Same formula

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 3-(3-Fluorophenyl)propionic acid458-45-7

Elsewhere

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