2-Chloro-6-methylbenzoic acid

C₈H₇ClO₂CAS 21327-86-6170.59 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₇ClO₂
Molar mass: 170.59 g/mol
Exact mass: 170.0135 Da
Melting point: 108 °C
logP: 2.35Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

21327-86-6

SMILES

Cc1cccc(Cl)c1C(=O)O

InChIKey

CEFMMQYDPGCYMG-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClO2/c1-5-3-2-4-6(9)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.

Names and synonyms

2 names

Benzoic acid, 2-chloro-6-methyl-
o-Toluic acid, 6-chloro-

Work with 2-Chloro-6-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

2,6-Dimethylbenzoic acid632-46-275 % similar 2,6-Dichlorobenzoic acid50-30-671 % similar 2-Chloro-6-hydroxybenzoic acid56961-31-061 % similar 2-Chloro-6-methylbenzamide101080-58-459 % similar 2-Amino-6-chlorobenzoic acid2148-56-359 % similar 2-Chloro-6-fluorobenzoic acid434-75-359 % similar 2-Methoxy-6-methylbenzoic acid6161-65-558 % similar 3-Chloro-4-methylbenzoic acid5162-82-357 % similar

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

Same formula

4-Methoxybenzoyl chloride100-07-2 Methyl 4-chlorobenzoate1126-46-1 4-Chloro-3-methoxybenzaldehyde13726-16-4 5′-Chloro-2′-hydroxyacetophenone1450-74-4 4-(Chloromethyl)benzoic acid1642-81-5 3-Methoxybenzoyl chloride1711-05-3 (3-Chlorophenyl)acetic acid1878-65-5 (4-Chlorophenyl)acetic acid1878-66-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook