Ethyl 2-(3,4-difluorophenyl)-2-oxoacetate

C₁₀H₈F₂O₃CAS 73790-05-3214.17 g/mol

Open in Covalent MOL file

Aryl halide Ester Ketone

Properties

Molecular formula: C₁₀H₈F₂O₃
Molar mass: 214.17 g/mol
Exact mass: 214.0442 Da
logP: 1.71Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

73790-05-3

SMILES

CCOC(=O)C(=O)C1=CC(=C(C=C1)F)F

InChIKey

DYIBSNLBZKOXNA-UHFFFAOYSA-N

InChI

InChI=1S/C10H8F2O3/c1-2-15-10(14)9(13)6-3-4-7(11)8(12)5-6/h3-5H,2H2,1H3

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Names and synonyms

1 names

Ethyl 3,4-difluorobenzoylformate

Work with Ethyl 2-(3,4-difluorophenyl)-2-oxoacetate

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 3,4-difluorobenzoate144267-96-966 % similar Ethyl 3,4-dichlorophenylglyoxylate34966-52-461 % similar Ethyl benzoylformate1603-79-858 % similar Ethyl 4-chlorobenzoylformate34966-48-857 % similar Ethyl 3-chlorobenzoylformate62123-73-357 % similar Ethyl 2-(4-methoxyphenyl)-2-oxoacetate40140-16-756 % similar Ethyl (4-tert-butylphenyl)(oxo)acetate80120-36-156 % similar 1-(3,4-Difluorophenyl)-1-propanone23384-72-750 % similar

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

Same formula

3-(2',4'-Difluorobenzoyl)propionic acid110931-77-6

Elsewhere

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