(2-Fluorophenyl)acetic acid

C₈H₇FO₂CAS 451-82-1154.14 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₇FO₂
Molar mass: 154.14 g/mol
Exact mass: 154.0430 Da
Melting point: 63 °C
logP: 1.45Crippen 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 irritation18.8% of notifiers
H335 May cause respiratory irritation16.7% of notifiers

Aggregated from 48 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

451-82-1

SMILES

O=C(O)Cc1ccccc1F

InChIKey

RPTRFSADOICSSK-UHFFFAOYSA-N

InChI

InChI=1S/C8H7FO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)

Weigh it out

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

Names and synonyms

8 names

Benzeneacetic acid, 2-fluoro-
Acetic acid, (o-fluorophenyl)-
2-Fluorobenzeneacetic acid
(o-Fluorophenyl)acetic acid
NSC 401
2-(2-Fluorophenyl)ethanoic acid hydrochloride
o-Fluorobenzeneacetic acid
2-(2-Fluorophenyl)acetic acid

Work with (2-Fluorophenyl)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

2,3-Difluorobenzeneacetic acid145689-41-472 % similar 1,2-Benzenediacetic acid7500-53-070 % similar 3-(2-Fluorophenyl)propionic acid1643-26-169 % similar 2,6-Difluorobenzeneacetic acid85068-28-665 % similar 2,4-Difluorophenylacetic acid81228-09-362 % similar 2,5-Difluorobenzeneacetic acid85068-27-562 % similar 2-Bromophenylacetic acid18698-97-059 % similar 2,4,5-Trifluorophenylacetic acid209995-38-059 % similar

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

Same formula

2-Fluoro-3-methoxybenzaldehyde103438-88-6 2-Fluoro-5-methoxybenzaldehyde105728-90-3 4-Fluoro-3-methoxybenzaldehyde128495-46-5 2-Fluoro-6-methoxybenzaldehyde146137-74-8 4'-Fluoro-2'-hydroxyacetophenone1481-27-2 Fluorophenylacetic acid1578-63-8 5-Fluoro-2-methoxybenzaldehyde19415-51-1 2-Fluoro-3-methylbenzoic acid315-31-1

Elsewhere

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