Ethyl 2,4-dichlorobenzoate

C₉H₈Cl₂O₂CAS 56882-52-1219.06 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₉H₈Cl₂O₂
Molar mass: 219.06 g/mol
Exact mass: 217.9901 Da
Melting point: 53–55 °C
Boiling point: 83–85 °C (at 0.2 Torr)
logP: 3.17Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

56882-52-1

SMILES

CCOC(=O)c1ccc(Cl)cc1Cl

InChIKey

ZBBGAUHWTZKKQQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H8Cl2O2/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2H2,1H3

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Names and synonyms

2 names

Benzoic acid, 2,4-dichloro-, ethyl ester
2,4-Dichlorobenzoic acid ethyl ester

Work with Ethyl 2,4-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

Ethyl o-chlorobenzoate7335-25-369 % similar 2,4-Dichlorobenzoyl peroxide133-14-266 % similar Methyl 2,4-dichlorobenzoate35112-28-865 % similar Ethyl 4-chlorobenzoate7335-27-559 % similar Ethyl m-chlorobenzoate1128-76-359 % similar Ethyl 5-bromo-2-chlorobenzoate76008-73-657 % similar 1-(2,4-Dichlorophenyl)-1-propanone37885-41-956 % similar Ethyl 2,4-dichlorophenoxyacetate533-23-355 % similar

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

Same formula

Ethyl 2,5-dichlorobenzoate35112-27-7 Methyl 2,4-dichlorobenzeneacetate55954-23-9 Ethyl 3,5-dichlorobenzoate91085-56-2

Elsewhere

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