2-Fluoro-4-methoxybenzoic acid

C₈H₇FO₃CAS 394-42-3170.14 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
logP: 1.53Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

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

394-42-3

SMILES

COC1=CC(=C(C=C1)C(=O)O)F

InChIKey

UPWMPIKNUXTWFP-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 2-Fluoro-4-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

4-Methoxyphthalic acid1885-13-871 % similar 4-Methoxysalicylic acid2237-36-767 % similar 2-Amino-4-methoxybenzoic acid4294-95-567 % similar 2,4-Dimethoxybenzoic acid91-52-167 % similar 4-Methoxy-2-methylbenzoic acid6245-57-465 % similar 2-Fluoro-4-methoxyacetophenone74457-86-665 % similar 2,6-Difluoro-4-methoxybenzoic acid123843-65-264 % similar 2-Chloro-4-methoxybenzoic acid21971-21-163 % 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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