Ethyl 3,5-dichlorobenzoate

C₉H₈Cl₂O₂CAS 91085-56-2219.06 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: 34–36 °C
logP: 3.17Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

91085-56-2

SMILES

CCOC(=O)c1cc(Cl)cc(Cl)c1

InChIKey

JRLNLVFPSMDPLU-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

2 names

Benzoic acid, 3,5-dichloro-, ethyl ester
3,5-Dichlorobenzoic acid ethyl ester

Work with Ethyl 3,5-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 m-chlorobenzoate1128-76-373 % similar Ethyl 4-chlorobenzoate7335-27-569 % similar 1,3-Diethyl 1,3-benzenedicarboxylate636-53-363 % similar Ethyl 3,5-dichloro-4-hydroxybenzoate17302-82-861 % similar Diethyl terephthalate636-09-960 % similar 2-Chloro-5-(ethoxycarbonyl)pyrimidine89793-12-457 % similar Ethyl gallate831-61-856 % similar Ethyl benzoate93-89-055 % 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 2,4-dichlorobenzoate56882-52-1

Elsewhere

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