Methyl 2,3-dichlorobenzoate

C₈H₆Cl₂O₂CAS 2905-54-6205.03 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₈H₆Cl₂O₂
Molar mass: 205.03 g/mol
Exact mass: 203.9745 Da
logP: 2.78Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

2905-54-6

SMILES

COC(=O)c1cccc(Cl)c1Cl

InChIKey

RFVULUSGHFRDHJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H6Cl2O2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,1H3

Weigh it out

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

Names and synonyms

3 names

Benzoic acid, 2,3-dichloro-, methyl ester
2,3-Dichlorobenzoic acid methyl ester
2,3-Dichloro-benzoic acid methyl ester

Work with Methyl 2,3-dichlorobenzoate

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-chlorobenzoate610-96-874 % similar Methyl 2-amino-3-chlorobenzoate77820-58-768 % similar Dimethyl phthalate131-11-360 % similar 1-(2,3-Dichlorophenyl)ethanone56041-57-756 % similar Methyl 2-bromo-6-chlorobenzoate685892-23-354 % similar Tetramethyl pyromellitate635-10-953 % similar 2,3-Dichlorobenzoyl chloride2905-60-453 % similar Methyl 2-chloronicotinate40134-18-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,3-Dichlorophenylacetic acid10236-60-9 2,4-Dichlorophenylacetic acid19719-28-9 Methyl 2,5-dichlorobenzoate2905-69-3 Methyl 2,4-dichlorobenzoate35112-28-8 3,5-Dichlorobenzeneacetic acid51719-65-4 3,4-Dichlorophenylacetic acid5807-30-7 2,6-Dichlorophenylacetic acid6575-24-2

Elsewhere

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