4-Fluorophenoxyacetic acid

C₈H₇FO₃CAS 405-79-8170.14 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₈H₇FO₃
Molar mass: 170.14 g/mol
Exact mass: 170.0379 Da
Melting point: 104.25 °C
logP: 1.29Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed12.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation87.5% of notifiers

Aggregated from 8 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

405-79-8

SMILES

O=C(O)COc1ccc(F)cc1

InChIKey

ZBIULCVFFJJYTN-UHFFFAOYSA-N

InChI

InChI=1S/C8H7FO3/c9-6-1-3-7(4-2-6)12-5-8(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

Acetic acid, 2-(4-fluorophenoxy)-
Acetic acid, (p-fluorophenoxy)-
Acetic acid, (4-fluorophenoxy)-
2-(4-Fluorophenoxy)acetic acid
p-Fluorophenoxyacetic acid
NSC 49589
2-(4-Fluorophenoxy)ethanoic acid

Work with 4-Fluorophenoxyacetic 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

2,2′-[1,4-Phenylenebis(oxy)]bis[acetic acid]2245-53-678 % similar 3-(4-Fluorophenoxy)propanoic acid1579-78-870 % similar (4-Hydroxyphenoxy)acetic acid1878-84-866 % similar 2-(4-(Trifluoromethoxy)phenoxy)acetic acid72220-50-965 % similar Phenoxyacetic acid122-59-865 % similar 4-Chlorophenoxyacetic acid122-88-364 % similar 4-Methoxyphenoxyacetic acid1877-75-464 % similar 2-(4-Bromophenoxy)acetic acid1878-91-764 % similar

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

Same formula

3-Fluoro-2-methoxybenzoic acid106428-05-1 2-Fluoro-3-methoxybenzoic acid137654-20-7 2-Fluoro-6-methoxybenzoic acid137654-21-8 Methyl 2-fluoro-4-hydroxybenzoate197507-22-5 2-Fluoro-5-methoxybenzoic acid367-83-9 Methyl 5-fluoro-2-hydroxybenzoate391-92-4 Methyl 4-fluorosalicylate392-04-1 5-Fluoro-2-methoxybenzoic acid394-04-7

Elsewhere

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