chempirical

Methyl 3-chloro-p-anisate

C9H9ClO3CAS 37908-98-8200.62 g/mol

Open in Covalent MOL file
OOOCl
Aryl halideEsterEther

Properties

Molecular formula
C9H9ClO3
Molar mass
200.62 g/mol
Exact mass
200.0240 Da
Melting point
89–90 °C
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 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
37908-98-8
SMILES
COC(=O)c1ccc(OC)c(Cl)c1
InChIKey
PINQDVFQCCFACD-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO3/c1-12-8-4-3-6(5-7(8)10)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

4 names
  • Methyl 3-chloro-4-methoxybenzoate
  • Benzoic acid, 3-chloro-4-methoxy-, methyl ester
  • p-Anisic acid, 3-chloro-, methyl ester
  • 3-Chloro-4-methoxybenzoic acid methyl ester

Work with Methyl 3-chloro-p-anisate

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 3,4-dimethoxybenzoate2150-38-171 % similar Methyl 3,4-dichlorobenzoate2905-68-271 % similar Methyl 4-amino-3-chlorobenzoate84228-44-468 % similar Methyl 3-amino-4-methoxybenzoate24812-90-665 % similar Methyl 3-chloro-4-methylbenzoate56525-63-465 % similar Methyl 3-iodo-4-methoxybenzoate35387-93-063 % similar Methyl 3-bromo-4-methoxybenzoate35450-37-463 % similar 3-Chloro-p-anisic acid37908-96-663 % 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 Methyl 5-chloro-2-methoxybenzoate33924-48-0

Elsewhere

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