chempirical

Chloroethylene carbonate

C3H3ClO3CAS 3967-54-2122.50 g/mol

Open in Covalent MOL file
OOClO
Alkyl halideCarbonate

Properties

Molecular formula
C3H3ClO3
Molar mass
122.50 g/mol
Exact mass
121.9771 Da
Density
1.513 g/mL (at 25 °C)
Boiling point
212 °C (at 735 Torr)
logP
0.72Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
3967-54-2
SMILES
O=C1OCC(Cl)O1
InChIKey
OYOKPDLAMOMTEE-UHFFFAOYSA-N
InChI
InChI=1S/C3H3ClO3/c4-2-1-6-3(5)7-2/h2H,1H2

Weigh it out

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

Names and synonyms

8 names
  • 1,2-Ethanediol, 1-chloro-, cyclic carbonate
  • 1,3-Dioxolan-2-one, 4-chloro-
  • Carbonic acid, cyclic chloroethylene ester
  • Carbonic acid, chloroethylene ester
  • 4-Chloro-1,3-dioxolan-2-one
  • 1,2-Ethanediol, chloro-, cyclic carbonate
  • Cyclic chloroethylene carbonate
  • NSC 74446

Work with Chloroethylene carbonate

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

Propylene carbonate108-32-748 % similar Fluoroethylene carbonate114435-02-848 % similar (4R)-4-Methyl-1,3-dioxolan-2-one16606-55-648 % similar (4S)-4-Methyl-1,3-dioxolan-2-one51260-39-048 % similar Vinylethylene carbonate4427-96-745 % similar Glycerol-1,2-carbonate931-40-845 % similar Diisobutyl carbonate539-92-441 % similar α-Chlorodiethyl carbonate50893-36-241 % similar

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

Same formula

Methyl oxalyl chloride5781-53-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook