3-Chloro-2-methoxybenzoic acid

C₈H₇ClO₃CAS 3260-93-3186.59 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₈H₇ClO₃
Molar mass: 186.59 g/mol
Exact mass: 186.0084 Da
Melting point: 120–121 °C
logP: 2.05Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number

3260-93-3

SMILES

COc1c(Cl)cccc1C(=O)O

InChIKey

NKVUYEGKHRDEBB-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClO3/c1-12-7-5(8(10)11)3-2-4-6(7)9/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, 3-chloro-2-methoxy-
o-Anisic acid, 3-chloro-

Work with 3-Chloro-2-methoxybenzoic 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

2,3-Dimethoxybenzoic acid1521-38-669 % similar 3-Fluoro-2-methoxybenzoic acid106428-05-165 % similar Dicamba1918-00-964 % similar 2-Chlorobenzoic acid118-91-261 % similar 2-Chloro-5-methoxybenzoic acid6280-89-361 % similar 3-Chloro-2-methylbenzoic acid7499-08-358 % similar 2,3-Dichlorobenzoic acid50-45-357 % similar 2,3,4-Trimethoxybenzoic acid573-11-557 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloromandelic acid10421-85-9 4-Chlorophenoxyacetic acid122-88-3 3-Chloromandelic acid16273-37-3 3-Chloro-4-hydroxy-5-methoxybenzaldehyde19463-48-0 2-Chloro-4-methoxybenzoic acid21971-21-1 (R)-2-(4-Chlorophenyl)-2-hydroxyethanoic acid32189-36-9 3-Chloro-4-hydroxyphenylacetic acid33697-81-3 5-Chloro-2-methoxybenzoic acid3438-16-2

Elsewhere

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