4-Chloro-2-methoxybenzoic acid

C₈H₇ClO₃CAS 57479-70-6186.59 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: 148 °C
logP: 2.05Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

57479-70-6

SMILES

COc1cc(Cl)ccc1C(=O)O

InChIKey

UFEYMXHWIHFRBX-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClO3/c1-12-7-4-5(9)2-3-6(7)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

4 names

Benzoic acid, 4-chloro-2-methoxy-
o-Anisic acid, 4-chloro-
4-Chloro-o-anisic acid
2-Methoxy-4-chlorobenzoic acid

Work with 4-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

2,4-Dimethoxybenzoic acid91-52-167 % similar 4-Amino-2-methoxybenzoic acid2486-80-863 % similar 4-Fluoro-2-methoxybenzoic acid395-82-463 % similar 2-Amino-4-chlorobenzoic acid89-77-061 % similar 2,4,5-Trimethoxybenzoic acid490-64-260 % similar 4-Chloro-2-methylbenzoic acid7499-07-259 % similar 2,4-Dichlorobenzoic acid50-84-058 % similar O-Anisic acid579-75-958 % 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 3-Chloro-2-methoxybenzoic acid3260-93-3 3-Chloro-4-hydroxyphenylacetic acid33697-81-3 5-Chloro-2-methoxybenzoic acid3438-16-2 3-Chloro-4-methoxybenzoic acid37908-96-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook