chempirical

Ethyl 3,4-dichlorophenylglyoxylate

C10H8Cl2O3CAS 34966-52-4247.07 g/mol

Open in Covalent MOL file
OOOClCl
Aryl halideEsterKetone

Properties

Molecular formula
C10H8Cl2O3
Molar mass
247.07 g/mol
Exact mass
245.9850 Da
logP
2.74Crippen estimate
Polar surface area
43.4 Ų
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
34966-52-4
SMILES
CCOC(=O)C(=O)C1=CC(=C(C=C1)Cl)Cl
InChIKey
NWUGRKGSCYOUFF-UHFFFAOYSA-N
InChI
InChI=1S/C10H8Cl2O3/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-dichlorobenzoylformate

Work with Ethyl 3,4-dichlorophenylglyoxylate

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 4-chlorobenzoylformate34966-48-866 % similar Ethyl benzoylformate1603-79-858 % similar Ethyl 2-(4-methoxyphenyl)-2-oxoacetate40140-16-756 % similar 1-(3,4-Dichlorophenyl)-1-propanone6582-42-950 % similar Ethyl 2-thienylglyoxylate4075-58-547 % similar Methyl 3,4-dichlorobenzoate2905-68-246 % similar 3′,4′-Dichloroacetophenone2642-63-946 % similar Ethyl 5-bromo-2-chlorobenzoate76008-73-646 % similar

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

Elsewhere

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