Ethyl 3-chlorobenzoylformate

C₁₀H₉ClO₃CAS 62123-73-3212.63 g/mol

Open in Covalent MOL file

Aryl halide Ester Ketone

Properties

Molecular formula: C₁₀H₉ClO₃
Molar mass: 212.63 g/mol
Exact mass: 212.0240 Da
logP: 2.09Crippen 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

62123-73-3

SMILES

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

InChIKey

AORWOAPLLYVOEU-UHFFFAOYSA-N

InChI

InChI=1S/C10H9ClO3/c1-2-14-10(13)9(12)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3

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Work with Ethyl 3-chlorobenzoylformate

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 benzoylformate1603-79-867 % similar Ethyl m-chlorobenzoate1128-76-366 % similar Ethyl 3,4-dichlorophenylglyoxylate34966-52-465 % similar 3-(3-Chloro-phenyl)-3-oxo-propionic acid ethyl ester33167-21-458 % similar Ethyl 2-(3,4-difluorophenyl)-2-oxoacetate73790-05-357 % similar Ethyl 2-(4-methoxyphenyl)-2-oxoacetate40140-16-752 % similar Ethyl (4-tert-butylphenyl)(oxo)acetate80120-36-152 % similar 1-(3-Chlorophenyl)-1-propanone34841-35-550 % similar

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

Same formula

O-Acetylmandeloyl chloride1638-63-7 3-(Acetyloxy)-2-methylbenzoyl chloride167678-46-8 Ethyl 4-chlorobenzoylformate34966-48-8 3-(4-Chlorobenzoyl)propionic acid3984-34-7

Elsewhere

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