chempirical

1,3-Diethyl 2-chloropropanedioate

C7H11ClO4CAS 14064-10-9194.61 g/mol

Open in Covalent MOL file
OOClOO
Alkyl halideEster

Properties

Molecular formula
C7H11ClO4
Molar mass
194.61 g/mol
Exact mass
194.0346 Da
Boiling point
222 °C
logP
0.72Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
14064-10-9
SMILES
CCOC(=O)C(Cl)C(=O)OCC
InChIKey
WLWCQKMQYZFTDR-UHFFFAOYSA-N
InChI
InChI=1S/C7H11ClO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

12 names
  • Propanedioic acid, 2-chloro-, 1,3-diethyl ester
  • Malonic acid, chloro-, diethyl ester
  • Propanedioic acid, chloro-, diethyl ester
  • Chloromalonic acid diethyl ester
  • Diethyl chloromalonate
  • Ethyl chloromalonate
  • α-Chlorodiethyl malonate
  • Diethyl monochloromalonate
  • NSC 227952
  • Chloropropanedioic acid ethyl ester
  • Diethyl chloropropanedioate
  • Diethyl 2-chloromalonate

Work with 1,3-Diethyl 2-chloropropanedioate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 2-chloroacetoacetate609-15-474 % similar Ethyl 2-chloropropionate535-13-763 % similar 1,1,1-Triethyl methanetricarboxylate6279-86-363 % similar Ethyl cyclopropanecarboxylate4606-07-958 % similar Ethyl isobutyrate97-62-158 % similar Ethyl 2-chloro-3-oxopropanoate33142-21-157 % similar 1,3-Diethyl 2-ethylpropanedioate133-13-156 % similar (-)-Diethyl tartrate13811-71-756 % similar

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

Elsewhere

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