Methyl 4-fluoro-2-methoxybenzoate

C₉H₉FO₃CAS 204707-42-6184.17 g/mol

Open in Covalent MOL file

Aryl halide Ester Ether

Properties

Molecular formula: C₉H₉FO₃
Molar mass: 184.17 g/mol
Exact mass: 184.0536 Da
logP: 1.62Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

204707-42-6

SMILES

COC(=O)c1ccc(F)cc1OC

InChIKey

LJUAEPNTXDJBRX-UHFFFAOYSA-N

InChI

InChI=1S/C9H9FO3/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h3-5H,1-2H3

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Names and synonyms

2 names

Benzoic acid, 4-fluoro-2-methoxy-, methyl ester
Methyl 2-methoxy-4-fluorobenzoate

Work with Methyl 4-fluoro-2-methoxybenzoate

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

Methyl 2,4-difluorobenzoate106614-28-271 % similar Methyl 2,4-dimethoxybenzoate2150-41-667 % similar 1-(4-Fluoro-2-methoxyphenyl)ethanone51788-80-865 % similar Methyl 4-bromo-2-methoxybenzoate139102-34-463 % similar Methyl 4-amino-2-methoxybenzoate27492-84-863 % similar Methyl 2-amino-5-fluorobenzoate319-24-463 % similar Methyl 4-fluoro-2-hydroxybenzoate392-04-163 % similar 4-Fluoro-2-methoxybenzoic acid395-82-463 % similar

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

Same formula

3-(4-Fluorophenoxy)propanoic acid1579-78-8 5-Fluoro-2-methoxybenzeneacetic acid383134-85-8 (3-Fluoro-4-methoxyphenyl)acetic acid452-14-2

Elsewhere

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