4-Chloro-2-methoxybenzoic acid

C8H7ClO3CAS 57479-70-6186.59 g/mol

Open in Covalent MOL file
OClOHO
Aryl halideCarboxylic acidEther

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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 8 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
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

5-Chloro-2-methoxybenzoic acid3438-16-277 % similar 2,4-Dimethoxybenzoic acid91-52-167 % similar 2-Methoxy-4-methylbenzoic acid704-45-065 % similar 4-Amino-o-anisic acid2486-80-863 % similar 4-Fluoro-2-methoxybenzoic acid395-82-463 % similar 4-Chlorophthalic acid89-20-362 % similar 2-Amino-4-chlorobenzoic acid89-77-061 % similar 2,4,5-Trimethoxybenzoic acid490-64-260 % 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

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