2-Fluoro-3-methylbenzoic acid

C₈H₇FO₂CAS 315-31-1154.14 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic 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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 9 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

315-31-1

SMILES

CC1=C(C(=CC=C1)C(=O)O)F

InChIKey

DGNAETGARNTCIL-UHFFFAOYSA-N

InChI

InChI=1S/C8H7FO2/c1-5-3-2-4-6(7(5)9)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-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

2,3-Difluoro-4-methylbenzoic acid261763-37-572 % similar o-Toluic acid118-90-165 % similar 2,3-Difluorobenzoic acid4519-39-564 % similar 2,3-Dimethylbenzoic acid603-79-264 % similar 2-Iodo-3-methylbenzoic acid108078-14-462 % similar 2-Chloro-3-methylbenzoic acid15068-35-662 % similar 3-Chloro-2-fluorobenzoic acid161957-55-762 % similar 3-Bromo-2-fluorobenzoic acid161957-56-862 % 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 1-(4-Fluoro-2-hydroxyphenyl)ethanone1481-27-2 α-Fluorobenzeneacetic acid1578-63-8 5-Fluoro-2-methoxybenzaldehyde19415-51-1 2-Fluoro-5-methylbenzoic acid321-12-0

Elsewhere

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