Ethyl 3,4-dichlorophenylglyoxylate

C₁₀H₈Cl₂O₃CAS 34966-52-4247.07 g/mol

Open in Covalent MOL file

Aryl halide Ester Ketone

Properties

Molecular formula: C₁₀H₈Cl₂O₃
Molar mass: 247.07 g/mol
Exact mass: 245.9850 Da
logP: 2.74Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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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 3-chlorobenzoylformate62123-73-365 % similar Ethyl 2-(3,4-difluorophenyl)-2-oxoacetate73790-05-361 % similar Ethyl benzoylformate1603-79-858 % similar Ethyl 2-(4-methoxyphenyl)-2-oxoacetate40140-16-756 % similar Ethyl (4-tert-butylphenyl)(oxo)acetate80120-36-156 % similar 1-(3,4-Dichlorophenyl)-1-propanone6582-42-950 % similar Ethyl 2-thienylglyoxylate4075-58-547 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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