5-Chloro-2-methoxybenzoic acid

C₈H₇ClO₃CAS 3438-16-2186.59 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: 82 °C
logP: 2.05Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation86.8% of notifiers
H319 Causes serious eye irritation86.8% of notifiers
H335 May cause respiratory irritation84.9% of notifiers

Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3438-16-2

SMILES

COc1ccc(Cl)cc1C(=O)O

InChIKey

HULDRQRKKXRXBI-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClO3/c1-12-7-3-2-5(9)4-6(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, 5-chloro-2-methoxy-
o-Anisic acid, 5-chloro-
2-Methoxy-5-chlorobenzoic acid
5-Chloro-o-anisic acid

Work with 5-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

4-Chloro-2-methoxybenzoic acid57479-70-677 % similar 4-Methoxy-1,3-benzenedicarboxylic acid2206-43-167 % similar 2,5-Dimethoxybenzoic acid2785-98-067 % similar 2-Methoxy-5-methylbenzoic acid25045-36-765 % similar 5-Chloro-2-methoxybenzoyl chloride29568-33-065 % similar 1-(5-Chloro-2-methoxyphenyl)ethanone6342-64-965 % similar 5-Bromo-2-methoxybenzoic acid2476-35-963 % similar Methyl 5-chloro-2-methoxybenzoate33924-48-063 % 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-2-methoxybenzoic acid3260-93-3 3-Chloro-4-hydroxyphenylacetic acid33697-81-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook