Ethyl 2,5-dichlorobenzoate

C₉H₈Cl₂O₂CAS 35112-27-7219.06 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
logP: 3.17Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

35112-27-7

SMILES

CCOC(=O)c1cc(Cl)ccc1Cl

InChIKey

JSZYWIKNIZKJAN-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

Benzoic acid, 2,5-dichloro-, ethyl ester

Work with Ethyl 2,5-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 o-chlorobenzoate7335-25-369 % similar Ethyl 5-bromo-2-chlorobenzoate76008-73-669 % similar Methyl 2,5-dichlorobenzoate2905-69-365 % similar Ethyl 4-chlorobenzoate7335-27-559 % similar Ethyl m-chlorobenzoate1128-76-359 % similar Ethyl 5-chloro-1H-indole-2-carboxylate4792-67-053 % similar Diethyl phthalate84-66-253 % similar 1-(2,5-Dichlorophenyl)ethanone2476-37-153 % similar

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

Same formula

Methyl 2,4-dichlorobenzeneacetate55954-23-9 Ethyl 2,4-dichlorobenzoate56882-52-1 Ethyl 3,5-dichlorobenzoate91085-56-2

Elsewhere

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