3-Fluoro-p-toluic acid

C₈H₇FO₂CAS 350-28-7154.14 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 irritation98% of notifiers

Aggregated from 49 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

350-28-7

SMILES

Cc1ccc(C(=O)O)cc1F

InChIKey

XUQCONCMPCVUDM-UHFFFAOYSA-N

InChI

InChI=1S/C8H7FO2/c1-5-2-3-6(8(10)11)4-7(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

6 names

3-Fluoro-4-methylbenzoic acid
Benzoic acid, 3-fluoro-4-methyl-
p-Toluic acid, 3-fluoro-
3-Fluoro-4-toluic acid
NSC 56683
5-Fluoro-4-methylbenzoic acid

Work with 3-Fluoro-p-toluic 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

4-Fluoro-3-methylbenzoic acid403-15-675 % similar 3,4-Difluorobenzoic acid455-86-768 % similar 3,4-Dimethylbenzoic acid619-04-568 % similar 3-Fluoro-4-iodobenzoic acid825-98-965 % similar 3-Fluoro-4-hydroxybenzoic acid350-29-862 % similar 3-Hydroxy-4-methylbenzoic acid586-30-162 % similar 3-Iodo-4-methylbenzoic acid82998-57-062 % similar 4-Bromo-3-fluorobenzoic acid153556-42-460 % 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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