3-Fluoro-5-methylbenzoic acid

C8H7FO2CAS 518070-19-4154.14 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

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
518070-19-4
SMILES
Cc1cc(F)cc(C(=O)O)c1
InChIKey
XPUFVYIUPYNLPD-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4H,1H3,(H,10,11)

Weigh it out

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Names and synonyms

1 names
  • Benzoic acid, 3-fluoro-5-methyl-

Work with 3-Fluoro-5-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

3,5-Difluorobenzoic acid455-40-371 % similar 3,5-Dimethylbenzoic acid499-06-971 % similar Uvitic acid499-49-071 % similar 3-Bromo-5-fluorobenzoic acid176548-70-261 % similar 3-Chloro-5-fluorobenzoic acid25026-64-659 % similar 3-Amino-5-fluorobenzoic acid786616-54-459 % similar 3-Fluoro-5-(trifluoromethyl)benzoic acid161622-05-556 % similar 3-Fluorobenzoic acid455-38-955 % 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

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