4-Fluoro-2-methoxybenzoic acid

C₈H₇FO₃CAS 395-82-4170.14 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: 136 °C
Boiling point: 93 °C (at 10 Torr)
logP: 1.53Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

395-82-4

SMILES

COc1cc(F)ccc1C(=O)O

InChIKey

UUQDNAPKWPKHMK-UHFFFAOYSA-N

InChI

InChI=1S/C8H7FO3/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4H,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

1 names

Benzoic acid, 4-fluoro-2-methoxy-

Work with 4-Fluoro-2-methoxybenzoic 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

2,4-Dimethoxybenzoic acid91-52-167 % similar 1-(4-Fluoro-2-methoxyphenyl)ethanone51788-80-865 % similar 2-Methoxy-4-methylbenzoic acid704-45-065 % similar Methyl 4-fluoro-2-methoxybenzoate204707-42-663 % similar 4-Amino-o-anisic acid2486-80-863 % similar 4-Chloro-2-methoxybenzoic acid57479-70-663 % similar 2,4-Difluorobenzoic acid1583-58-063 % similar 4-Fluorophthalic acid320-97-862 % 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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