3-Fluoro-5-methylbenzoic acid

C₈H₇FO₂CAS 518070-19-4154.14 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₇FO₂
Molar mass: 154.14 g/mol
Exact mass: 154.0430 Da
logP: 1.83Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

518070-19-4

SMILES

Cc1cc(F)cc(C(=O)O)c1

InChIKey

XPUFVYIUPYNLPD-UHFFFAOYSA-N

InChI

InChI=1S/C8H7FO2/c1-5-2-6(8(10)11)4-7(9)3-5/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, 3-fluoro-5-methyl-

Work with 3-Fluoro-5-methylbenzoic 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

3,5-Difluorobenzoic acid455-40-371 % similar 3,5-Dimethylbenzoic acid499-06-971 % similar Uvitic acid499-49-071 % similar 3-Fluorobenzoic acid455-38-955 % similar M-Toluic acid99-04-753 % similar 5-Methylnicotinic acid3222-49-951 % similar 5-Fluoronicotinic acid402-66-451 % similar 3,5-Difluorotoluene117358-51-750 % similar

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

Same formula

2-Fluoro-3-methoxybenzaldehyde103438-88-6 2-Fluoro-5-methoxybenzaldehyde105728-90-3 4-Fluoro-3-methoxybenzaldehyde128495-46-5 1-(4-Fluoro-2-hydroxyphenyl)ethanone1481-27-2 α-Fluorobenzeneacetic acid1578-63-8 5-Fluoro-2-methoxybenzaldehyde19415-51-1 3-Fluorophenylacetic acid331-25-9 2-Fluoro-4-methoxybenzaldehyde331-64-6

Elsewhere

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