2-Fluoro-5-methylbenzoic acid

C8H7FO2CAS 321-12-0154.14 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
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
321-12-0
SMILES
CC1=CC(=C(C=C1)F)C(=O)O
InChIKey
UREMNBHWTNQTMS-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-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

2-Fluoro-4-methylbenzoic acid7697-23-675 % similar 4-Methylphthalic acid4316-23-868 % similar 2,5-Difluorobenzoic acid2991-28-864 % similar 2,5-Dimethylbenzoic acid610-72-064 % similar 2'-Fluoro-5'-methylacetophenone446-07-162 % similar 2-Fluoro-5-hydroxybenzoic acid51446-30-162 % similar 5-Methylsalicylic acid89-56-562 % similar 2-Fluoro-5-iodobenzoic acid124700-41-060 % 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 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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