chempirical

4-(Chloromethyl)-5-methyl-1,3-dioxol-2-one

C5H5ClO3CAS 80841-78-7148.54 g/mol

Open in Covalent MOL file
OOOCl
Alkyl halide

Properties

Molecular formula
C5H5ClO3
Molar mass
148.54 g/mol
Exact mass
147.9927 Da
logP
1.28Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
80841-78-7
SMILES
Cc1oc(=O)oc1CCl
InChIKey
QCLFSYYUWPUWQR-UHFFFAOYSA-N
InChI
InChI=1S/C5H5ClO3/c1-3-4(2-6)9-5(7)8-3/h2H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • 1,3-Dioxol-2-one, 4-(chloromethyl)-5-methyl-
  • 4-Chloromethyl-5-methyl-2-oxo-1,3-dioxole
  • (5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl chloride
  • 4-(Chloromethyl)-5-methyldioxol-2-one

Work with 4-(Chloromethyl)-5-methyl-1,3-dioxol-2-one

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

4-(Bromomethyl)-5-methyl-1,3-dioxol-2-one80715-22-661 % similar 4-(Chloromethyl)-3,5-dimethylisoxazole19788-37-532 % similar

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

Elsewhere

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