3-Chloro-2-methylbenzoic acid

C₈H₇ClO₂CAS 7499-08-3170.59 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: 102 °C
logP: 2.35Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

7499-08-3

SMILES

Cc1c(Cl)cccc1C(=O)O

InChIKey

HXGHMCLCSPQMOR-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClO2/c1-5-6(8(10)11)3-2-4-7(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

4 names

Benzoic acid, 3-chloro-2-methyl-
o-Toluic acid, 3-chloro-
2-Methyl-3-chlorobenzoic acid
NSC 407522

Work with 3-Chloro-2-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

Tolfenamic acid13710-19-568 % similar 2,3-Dimethylbenzoic acid603-79-266 % similar 3-Amino-2-methylbenzoic acid52130-17-364 % similar 2,3-Dichlorobenzoic acid50-45-363 % similar 3-Fluoro-2-methylbenzoic acid699-90-162 % similar 3-Chlorosalicylic acid1829-32-961 % similar 2-Amino-3-chlorobenzoic acid6388-47-259 % similar 3-Chloro-2-methoxybenzoic acid3260-93-358 % 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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