2-Chloro-5-methylbenzoic acid

C₈H₇ClO₂CAS 6342-60-5170.59 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: 207–208 °C
logP: 2.35Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

6342-60-5

SMILES

Cc1ccc(Cl)c(C(=O)O)c1

InChIKey

LEBWXJZAWTVKFL-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClO2/c1-5-2-3-7(9)6(4-5)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

3 names

Benzoic acid, 2-chloro-5-methyl-
m-Toluic acid, 6-chloro-
NSC 46623

Work with 2-Chloro-5-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

4-Methylphthalic acid4316-23-868 % similar 2,5-Dichlorobenzoic acid50-79-366 % similar 2,5-Dimethylbenzoic acid610-72-064 % similar 2-Chloro-5-hydroxybenzoic acid56961-30-962 % similar 5-Methylsalicylic acid89-56-562 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-160 % similar 2-Chloro-5-iodobenzoic acid19094-56-560 % similar 5-Bromo-2-chlorobenzoic acid21739-92-460 % 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

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