Ethyl 2,4-difluorobenzoate

C₉H₈F₂O₂CAS 108928-00-3186.16 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₉H₈F₂O₂
Molar mass: 186.16 g/mol
Exact mass: 186.0492 Da
logP: 2.14Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

108928-00-3

SMILES

CCOC(=O)c1ccc(F)cc1F

InChIKey

OPQFYGPAOVCNEQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H8F2O2/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2H2,1H3

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

Names and synonyms

2 names

Benzoic acid, 2,4-difluoro-, ethyl ester
2,4-Difluorobenzoic acid ethyl ester

Work with Ethyl 2,4-difluorobenzoate

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 2,4-difluorobenzoate106614-28-265 % similar Ethyl o-fluorobenzoate443-26-565 % similar Ethyl 2-(2,4-difluorophenyl)-4-thiazolecarboxylate175276-93-460 % similar Ethyl 4-fluorobenzoate451-46-759 % similar Ethyl 3-fluorobenzoate451-02-559 % similar Ethyl 2,3,4,5-tetrafluorobenzoate122894-73-957 % similar 1-(2,4-Difluorophenyl)-1-propanone85068-30-056 % similar Ethyl 5-fluoroindole-2-carboxylate348-36-753 % similar

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

Same formula

Ethyl 3,4-difluorobenzoate144267-96-9 1-[4-(Difluoromethoxy)phenyl]ethanone83882-67-1

Elsewhere

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