chempirical

Methyl 2,3-dichloropropanoate

C4H6Cl2O2CAS 3674-09-7156.99 g/mol

Open in Covalent MOL file
OOClCl
Alkyl halideEster

Properties

Molecular formula
C4H6Cl2O2
Molar mass
156.99 g/mol
Exact mass
155.9745 Da
Density
1.3282 g/mL (at 20 °C)
Boiling point
92 °C (at 50 Torr)
logP
1.01Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
3674-09-7
SMILES
COC(=O)C(Cl)CCl
InChIKey
OFHMODDLBXETIK-UHFFFAOYSA-N
InChI
InChI=1S/C4H6Cl2O2/c1-8-4(7)3(6)2-5/h3H,2H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • Propanoic acid, 2,3-dichloro-, methyl ester
  • Propionic acid, 2,3-dichloro-, methyl ester
  • Methyl α,β-dichloropropionate
  • Methyl 2,3-dichloropropionate
  • 2,3-Dichloropropanoic acid methyl ester
  • 2,3-Dichloropropionic acid methyl ester
  • NSC 67382
  • NSC 9373

Work with Methyl 2,3-dichloropropanoate

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

Methyl dichloroacetate116-54-158 % similar Dimethyl chloromalonate28868-76-052 % similar 3-Chloro-D-alanine methyl ester,hydrochloride112346-82-452 % similar Methyl 2-chloropropionate17639-93-948 % similar (-)-Methyl 2-chloropropionate73246-45-448 % similar (+)-Methyl 2-chloropropionate77287-29-748 % similar Methyl cyclopropanecarboxylate2868-37-346 % similar 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-246 % similar

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

Same formula

3-Chloropropyl chloroformate628-11-5

Elsewhere

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