Methyl 3-fluoro-4-hydroxybenzoate

C₈H₇FO₃CAS 403-01-0170.14 g/mol

Open in Covalent MOL file

Aryl halide Ester Phenol

Properties

Molecular formula: C₈H₇FO₃
Molar mass: 170.14 g/mol
Exact mass: 170.0379 Da
logP: 1.32Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

403-01-0

SMILES

COC(=O)C1=CC(=C(C=C1)O)F

InChIKey

IYUSGKSCDUJSKS-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

3-Fluoro-4-hydroxy-benzoic acid methyl ester

Work with Methyl 3-fluoro-4-hydroxybenzoate

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 3,4-dihydroxybenzoate2150-43-873 % similar Methyl 3,4-difluorobenzoate369-25-571 % similar Dimethyl 2-fluoroterephthalate5292-47-767 % similar 4-Hydroxyisophthalic acid dimethyl ester5985-24-067 % similar Methyl-4-amino-3-fluorobenzoate185629-32-763 % similar Methyl 3-bromo-4-hydroxybenzoate29415-97-263 % similar Methyl vanillate3943-74-663 % similar Methyl 3-chloro-4-hydroxybenzoate3964-57-663 % 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-fluoro-2-hydroxybenzoate392-04-1 5-Fluoro-2-methoxybenzoic acid394-04-7

Elsewhere

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