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

C₈H₆ClFO₂CAS 32890-89-4188.58 g/mol

Open in Covalent MOL file

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

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

1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone261762-63-465 % similar 2-Chloro-6-fluoro-3-methylbenzoyl chloride261762-81-665 % similar 2,6-Dichloro-3-fluorobenzoic acid178813-78-058 % similar 2,6-Difluorobenzoic acid385-00-256 % similar 2,3,6-Trifluorobenzoic acid2358-29-453 % similar 2-Chloro-6-fluorobenzoic acid434-75-353 % similar 2,6-Dimethylbenzoic acid632-46-251 % similar 2-Fluoro-6-iodobenzoic acid111771-08-551 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Chloro-4-fluorobenzeneacetic acid177985-32-9 3-Chloro-2-fluorobenzeneacetic acid261762-96-3 2-Chloro-6-fluorobenzeneacetic acid37777-76-7

Elsewhere

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