(4-Fluorophenyl)acetic acid

C₈H₇FO₂CAS 405-50-5154.14 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: 86 °C
Boiling point: 164 °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 irritation98% of notifiers
H319 Causes serious eye irritation17.6% of notifiers
H335 May cause respiratory irritation15.7% of notifiers

Aggregated from 51 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

405-50-5

SMILES

O=C(O)Cc1ccc(F)cc1

InChIKey

MGKPFALCNDRSQD-UHFFFAOYSA-N

InChI

InChI=1S/C8H7FO2/c9-7-3-1-6(2-4-7)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

7 names

Benzeneacetic acid, 4-fluoro-
Acetic acid, (p-fluorophenyl)-
4-Fluorobenzeneacetic acid
Ba 2821
(p-Fluorophenyl)acetic acid
2-(4-Fluorophenyl)acetic acid
NSC 402

Work with (4-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Benzenediacetic acid7325-46-475 % similar 3-(4-Fluorophenyl)propionic acid459-31-469 % similar 3,5-Difluorophenylacetic acid105184-38-166 % similar 3-Fluorophenylacetic acid331-25-965 % similar 4-(4-Fluorophenyl)butanoic acid589-06-065 % similar 4-Fluorobenzenepentanoic acid24484-22-863 % similar 4-Hydroxyphenylacetic acid156-38-762 % similar 4-(Hydroxymethyl)phenylacetic acid73401-74-862 % 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

PubChem CAS Common Chemistry NIST WebBook