chempirical

5-Fluoro-2-methylbenzoic acid

C8H7FO2CAS 33184-16-6154.14 g/mol

Open in Covalent MOL file
FOOH
Aryl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
33184-16-6
SMILES
Cc1ccc(F)cc1C(=O)O
InChIKey
JVBLXLBINTYFPR-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO2/c1-5-2-3-6(9)4-7(5)8(10)11/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, 5-fluoro-2-methyl-
  • o-Toluic acid, 5-fluoro-
  • 5-Fluoro-o-toluic acid
  • 3-Fluoro-6-methylbenzoic acid

Work with 5-Fluoro-2-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

2,5-Difluorobenzoic acid2991-28-864 % similar 2,5-Dimethylbenzoic acid610-72-064 % similar 5-Fluorosalicylic acid345-16-462 % similar 5-Iodo-2-methylbenzoic acid54811-38-062 % similar 2-Chloro-5-fluorobenzoic acid2252-50-860 % similar 5-Amino-2-methylbenzoic acid2840-04-260 % similar 2-Bromo-5-fluorobenzoic acid394-28-560 % similar 2-Amino-5-fluorobenzoic acid446-08-260 % 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

PubChem CAS Common Chemistry NIST WebBook