2-Chloro-6-fluoro-3-methylbenzoic acid

C8H6ClFO2CAS 32890-89-4188.58 g/mol

Open in Covalent MOL file
FOOHCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C8H6ClFO2
Molar mass
188.58 g/mol
Exact mass
188.0040 Da
logP
2.49Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
32890-89-4
SMILES
Cc1ccc(F)c(C(=O)O)c1Cl
InChIKey
VCNCNVOMGXWTBZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClFO2/c1-4-2-3-5(10)6(7(4)9)8(11)12/h2-3H,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

3 names
  • Benzoic acid, 2-chloro-6-fluoro-3-methyl-
  • m-Toluic acid, 2-chloro-6-fluoro-
  • 2-Chloro-6-fluoro-m-toluic acid

Work with 2-Chloro-6-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-Chloro-3,6-difluorobenzoic acid287172-74-173 % similar 1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone261762-63-465 % similar 2-Chloro-6-fluoro-3-methylbenzoyl chloride261762-81-665 % similar 2-Fluoro-6-methylbenzoic acid90259-27-164 % similar 3,6-Difluorophthalic acid651-97-859 % similar 2,6-Dichloro-3-fluorobenzoic acid178813-78-058 % similar 2,6-Difluorobenzoic acid385-00-256 % similar 2-Chloro-6-fluoro-3-methylphenylacetic acid261762-92-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-4-fluorobenzeneacetic acid177985-32-9 4-Chloro-2-fluorophenylacetic acid194240-75-0 2-(3-Chloro-5-fluorophenyl)acetic acid202001-00-1 3-Chloro-2-fluorobenzeneacetic acid261762-96-3 2-Fluoro-4-methoxybenzoylchloride321-24-4 6-Chloro-2-fluoro-3-methylbenzoic acid32890-90-7 2-Chloro-6-fluorobenzeneacetic acid37777-76-7 3-Fluoro-4-methoxybenzoyl chloride3907-15-1

Elsewhere

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