Methyl 5-chloro-2-methoxybenzoate

C9H9ClO3CAS 33924-48-0200.62 g/mol

Open in Covalent MOL file
OOClO
Aryl halideEsterEther

Properties

Molecular formula
C9H9ClO3
Molar mass
200.62 g/mol
Exact mass
200.0240 Da
logP
2.14Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
33924-48-0
SMILES
COC(=O)c1cc(Cl)ccc1OC
InChIKey
HPTHYBXMNNGQEF-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO3/c1-12-8-4-3-6(10)5-7(8)9(11)13-2/h3-5H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Benzoic acid, 5-chloro-2-methoxy-, methyl ester
  • o-Anisic acid, 5-chloro-, methyl ester
  • 4-Chloro-2-(methoxycarbonyl)anisole
  • 5-Chloro-2-methoxybenzoic acid methyl ester
  • Methyl 2-methoxy-5-chlorobenzoate

Work with Methyl 5-chloro-2-methoxybenzoate

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

Methyl 2-amino-5-chlorobenzoate5202-89-168 % similar Methyl 2,5-dichlorobenzoate2905-69-367 % similar 5-Chloro-2-methoxybenzoyl chloride29568-33-065 % similar Methyl 2-amino-4-chlorobenzoate5900-58-365 % similar 1-(5-Chloro-2-methoxyphenyl)ethanone6342-64-965 % similar Methyl 2-bromo-5-chlorobenzoate27007-53-063 % similar 5-Chloro-2-methoxybenzoic acid3438-16-263 % similar Methyl 5-chloro-2-hydroxybenzoate4068-78-463 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(±)-2-(3-Chlorophenoxy)propionic acid101-10-0 3,5-Dimethoxybenzoyl chloride17213-57-9 2,5-Dimethoxybenzoyl chloride17918-14-8 2,6-Dimethoxybenzoyl chloride1989-53-3 2-(2-Chlorophenoxy)propionic acid25140-86-7 3-(4-Chlorophenoxy)propanoic acid3284-79-5 2-(4-Chlorophenoxy)propionic acid3307-39-9 3,4-Dimethoxybenzoyl chloride3535-37-3

Elsewhere

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