chempirical

3-Fluoro-4-methylbenzoic acid

C8H7FO2CAS 350-28-7154.14 g/mol

Open in Covalent MOL file
OOHF
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
350-28-7
SMILES
Cc1ccc(C(=O)O)cc1F
InChIKey
XUQCONCMPCVUDM-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO2/c1-5-2-3-6(8(10)11)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

5 names
  • Benzoic acid, 3-fluoro-4-methyl-
  • p-Toluic acid, 3-fluoro-
  • 3-Fluoro-4-toluic acid
  • NSC 56683
  • 5-Fluoro-4-methylbenzoic acid

Work with 3-Fluoro-4-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

4-Fluoro-3-methylbenzoic acid403-15-675 % similar 3,4-Difluorobenzoic acid455-86-768 % similar 3,4-Dimethylbenzoic acid619-04-568 % similar 3-Fluoro-4-hydroxybenzoic acid350-29-862 % similar 3-Hydroxy-4-methylbenzoic acid586-30-162 % similar 3-Iodo-4-methylbenzoic acid82998-57-062 % similar 4-Bromo-3-fluorobenzoic acid153556-42-460 % similar 3-Amino-4-methylbenzoic acid2458-12-060 % 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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