chempirical

3-Fluoro-2-methylbenzoic acid

C8H7FO2CAS 699-90-1154.14 g/mol

Open in Covalent MOL file
FOHO
Aryl halideCarboxylic acid

Properties

Molecular formula
C8H7FO2
Molar mass
154.14 g/mol
Exact mass
154.0430 Da
Melting point
156–157 °C
logP
1.83Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
699-90-1
SMILES
Cc1c(F)cccc1C(=O)O
InChIKey
XMKZAIHFVHJGPV-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO2/c1-5-6(8(10)11)3-2-4-7(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

3 names
  • Benzoic acid, 3-fluoro-2-methyl-
  • o-Toluic acid, 3-fluoro-
  • NSC 60050

Work with 3-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-Fluorobenzoic acid445-29-465 % similar 3-Fluorophthalic acid1583-67-164 % similar 2,3-Difluorobenzoic acid4519-39-564 % similar 2,3-Dimethylbenzoic acid603-79-264 % similar 2,4-Difluoro-3-methylbenzoic acid112857-68-863 % similar 2-Chloro-3-fluorobenzoic acid102940-86-362 % similar 3-Amino-2-methylbenzoic acid52130-17-362 % similar 3-Chloro-2-methylbenzoic acid7499-08-362 % 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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