4-Fluoro-3-methylbenzoic acid

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-p-toluic acid350-28-775 % similar 3,4-Difluorobenzoic acid455-86-768 % similar 3,4-Dimethylbenzoic acid619-04-568 % similar 2-Methyl-1,4-benzenedicarboxylic acid5156-01-464 % similar 4-Fluoro-3-methylacetophenone369-32-462 % similar 4-Hydroxy-3-methylbenzoic acid499-76-362 % similar 4-Fluoro-3-hydroxybenzoic acid51446-31-262 % similar 4-Iodo-3-methylbenzoic acid52107-87-662 % 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 2-Fluoro-6-methoxybenzaldehyde146137-74-8 4'-Fluoro-2'-hydroxyacetophenone1481-27-2 Fluorophenylacetic acid1578-63-8 5-Fluoro-2-methoxybenzaldehyde19415-51-1 2-Fluoro-3-methylbenzoic acid315-31-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook