chempirical

5-(Chloromethyl)-2-oxazolidinone

C4H6ClNO2CAS 22625-57-6135.55 g/mol

Open in Covalent MOL file
OHNClO
Alkyl halide

Properties

Molecular formula
C4H6ClNO2
Molar mass
135.55 g/mol
Exact mass
135.0087 Da
Melting point
105–106 °C
logP
0.54Crippen estimate
Polar surface area
41.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
22625-57-6
SMILES
OC1=NCC(CCl)O1
InChIKey
FNOZCEQRXKPZEZ-UHFFFAOYSA-N
InChI
InChI=1S/C4H6ClNO2/c5-1-3-2-6-4(7)8-3/h3H,1-2H2,(H,6,7)

Weigh it out

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

Names and synonyms

4 names
  • 2-Oxazolidinone, 5-(chloromethyl)-
  • NSC 111158
  • 5-(Chloromethyl)-1,3-oxazolidin-2-one
  • 5-Chloromethyl-2-oxooxazolidine

Work with 5-(Chloromethyl)-2-oxazolidinone

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

Metaxalone1665-48-143 % similar Epichlorohydrin106-89-832 % similar Poly(epichlorohydrin)24969-06-032 % similar (-)-Epichlorohydrin51594-55-932 % similar (+)-Epichlorohydrin67843-74-732 % similar Epichlorohydrin-α-hydro-ω-hydroxypoly(oxy-1,2-ethanediyl) polymer39443-66-831 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook