4-Fluoro-3-methoxybenzoic acid

C₈H₇FO₃CAS 82846-18-2170.14 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: 207.5 °C
logP: 1.53Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

82846-18-2

SMILES

COc1cc(C(=O)O)ccc1F

InChIKey

LWGCZCMLPRMKIZ-UHFFFAOYSA-N

InChI

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

Work with 4-Fluoro-3-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

Veratric acid93-07-271 % similar 3,4-Difluorobenzoic acid455-86-767 % similar 1-(4-Fluoro-3-methoxyphenyl)ethanone64287-19-065 % similar 3-Methoxy-4-methylbenzoic acid7151-68-065 % similar 4-Methoxy-1,3-benzenedicarboxylic acid2206-43-162 % similar 3-Amino-4-methoxybenzoic acid2840-26-861 % similar Isovanillic acid645-08-961 % similar 4-(1,1-Dimethylethyl)-3-methoxybenzoic acid79822-46-160 % 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 4-fluoro-2-hydroxybenzoate392-04-1 4-Fluoromandelic acid395-33-5 4-Fluoro-2-methoxybenzoic acid395-82-4 3-Fluoro-4-methoxybenzoic acid403-20-3 4-Fluorophenoxyacetic acid405-79-8

Elsewhere

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