chempirical

Methyl 3-chloro-4-methoxybenzoate

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

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

3 names
  • 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-4-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 3,4-dimethoxybenzoate2150-38-171 % similar Methyl 3-amino-4-methoxybenzoate24812-90-665 % similar 3-Chloro-4-methoxybenzoic acid37908-96-663 % similar Methyl 3-chloro-4-hydroxybenzoate3964-57-663 % similar 4-Chloro-3-methylbenzoic acid methyl ester91367-05-462 % similar Methyl 3-methoxy-4-methylbenzoate3556-83-061 % similar Methyl 4-amino-3-methoxybenzoate41608-64-461 % similar Methyl vanillate3943-74-659 % 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

PubChem CAS Common Chemistry NIST WebBook