4-Fluoro-2-methylbenzoic acid

C₈H₇FO₂CAS 321-21-1154.14 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

Danger

H302 Harmful if swallowed87.2% of notifiers
H315 Causes skin irritation12.8% of notifiers
H318 Causes serious eye damage87.2% of notifiers
H319 Causes serious eye irritation12.8% of notifiers
H335 May cause respiratory irritation10.6% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

321-21-1

SMILES

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

InChIKey

KDXOONIQRUZGSY-UHFFFAOYSA-N

InChI

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

5-Fluoro-2-methylbenzoic acid33184-16-675 % similar 4-Fluorophthalic acid320-97-868 % similar 4-Fluoro-2-iodobenzoic acid56096-89-065 % similar 2,4-Difluorobenzoic acid1583-58-064 % similar 2-Methyl-1,4-benzenedicarboxylic acid5156-01-464 % similar 2,4-Dimethylbenzoic acid611-01-864 % similar 4-Fluoro-2-hydroxybenzoic acid345-29-962 % similar 2-Amino-4-fluorobenzoic acid446-32-262 % 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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