5-Fluoro-2-methoxybenzeneacetic acid

C₉H₉FO₃CAS 383134-85-8184.17 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₉H₉FO₃
Molar mass: 184.17 g/mol
Exact mass: 184.0536 Da
logP: 1.46Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

383134-85-8

SMILES

COc1ccc(F)cc1CC(=O)O

InChIKey

WGZCWKASVDIAOH-UHFFFAOYSA-N

InChI

InChI=1S/C9H9FO3/c1-13-8-3-2-7(10)4-6(8)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

5 names

Benzeneacetic acid, 5-fluoro-2-methoxy-
NSC 190367
NSC 190372
2-(5-Fluoro-2-methoxyphenyl)acetic acid
(5-Fluoro-2-methoxy-phenyl)-acetic acid

Work with 5-Fluoro-2-methoxybenzeneacetic 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

2,5-Dimethoxyphenylacetic acid1758-25-469 % similar 5-Bromo-2-methoxyphenylacetic acid7017-48-366 % similar 2,5-Difluorobenzeneacetic acid85068-27-562 % similar 2-Methoxyphenylacetic acid93-25-462 % similar 2,3,4-Trimethoxybenzeneacetic acid22480-91-759 % similar 2-(2-Bromo-5-fluorophenyl)acetic acid739336-26-659 % similar 2,4-Difluorophenylacetic acid81228-09-357 % similar 2-(2,4-Dimethoxyphenyl)acetic acid6496-89-557 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(4-Fluorophenoxy)propanoic acid1579-78-8 Methyl 4-fluoro-2-methoxybenzoate204707-42-6 (3-Fluoro-4-methoxyphenyl)acetic acid452-14-2 2-Fluoro-4,5-dimethoxybenzaldehyde71924-62-4 2-(2-Fluoro-4-methoxyphenyl)acetic acid883531-28-0

Elsewhere

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