Ethyl 3,5-dichloro-4-hydroxybenzoate

C₉H₈Cl₂O₃CAS 17302-82-8235.06 g/mol

Open in Covalent MOL file

Aryl halide Ester Phenol

Properties

Molecular formula: C₉H₈Cl₂O₃
Molar mass: 235.06 g/mol
Exact mass: 233.9850 Da
Melting point: 111–112 °C
logP: 2.88Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

17302-82-8

SMILES

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

InChIKey

WMKNGSJJEMFQOT-UHFFFAOYSA-N

InChI

InChI=1S/C9H8Cl2O3/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,12H,2H2,1H3

Weigh it out

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

Names and synonyms

4 names

Benzoic acid, 3,5-dichloro-4-hydroxy-, ethyl ester
Ethyl 4-hydroxy-3,5-dichlorobenzoate
3,5-Dichloro-4-hydroxybenzoic acid ethyl ester
NSC 74473

Work with Ethyl 3,5-dichloro-4-hydroxybenzoate

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 gallate831-61-867 % similar Methyl 3,5-dichloro-4-hydroxybenzoate3337-59-564 % similar Ethyl 3,5-dichlorobenzoate91085-56-261 % similar 1,3-Diethyl 1,3-benzenedicarboxylate636-53-356 % similar Ethyl 3-hydroxybenzoate7781-98-855 % similar Ethyl protocatechuate3943-89-354 % similar Ethyl o-chlorobenzoate7335-25-354 % similar Diethyl terephthalate636-09-953 % similar

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

Same formula

Dichlorprop120-36-5 2,4-D Methyl ester1928-38-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook