4-Fluoro-3-methylbenzoic acid

C₈H₇FO₂CAS 403-15-6154.14 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
Melting point: 165 °C
logP: 1.83Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

403-15-6

SMILES

Cc1cc(C(=O)O)ccc1F

InChIKey

VOCCEVKUXUIHOI-UHFFFAOYSA-N

InChI

InChI=1S/C8H7FO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Benzoic acid, 4-fluoro-3-methyl-
m-Toluic acid, 4-fluoro-
4-Fluoro-m-toluic acid
NSC 51778

Work with 4-Fluoro-3-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-Fluoro-4-methylbenzoic acid350-28-775 % similar 3,4-Difluorobenzoic acid455-86-768 % similar 3,4-Dimethylbenzoic acid619-04-568 % similar 4-Hydroxy-3-methylbenzoic acid499-76-362 % similar 3-Bromo-4-fluorobenzoic acid1007-16-560 % similar 3-Amino-4-fluorobenzoic acid2365-85-760 % similar 4-Amino-3-methylbenzoic acid2486-70-660 % similar 3-Chloro-4-fluorobenzoic acid403-16-760 % 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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