4-Chloro-3-methylbenzoic acid

C₈H₇ClO₂CAS 7697-29-2170.59 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: 208 °C
logP: 2.35Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

7697-29-2

SMILES

Cc1cc(C(=O)O)ccc1Cl

InChIKey

MRUKIIWRMSYKML-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClO2/c1-5-4-6(8(10)11)2-3-7(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, 4-chloro-3-methyl-
m-Toluic acid, 4-chloro-
4-Chloro-m-toluic acid
NSC 137157

Work with 4-Chloro-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

3-Chloro-4-methylbenzoic acid5162-82-375 % similar 3,4-Dichlorobenzoic acid51-44-568 % similar 3,4-Dimethylbenzoic acid619-04-568 % similar 4-Chloro-3-iodobenzoic acid42860-04-865 % similar 1-(4-Chloro-3-methylphenyl)ethanone37074-39-862 % similar 4-Hydroxy-3-methylbenzoic acid499-76-362 % similar 4-Amino-3-methylbenzoic acid2486-70-660 % similar 3-Amino-4-chlorobenzoic acid2840-28-060 % 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 2-Chloro-3-methylbenzoic acid15068-35-6 4-(Chloromethyl)benzoic acid1642-81-5 3-Methoxybenzoyl chloride1711-05-3 (3-Chlorophenyl)acetic acid1878-65-5

Elsewhere

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