Keyword(s): Human Metabolites
Molecule Category Free-form
UNII LS2JTI16JZ
EPA CompTox DTXSID3074941

Structure

InChI Key IXZDIALLLMRYOU-UHFFFAOYSA-N
Smiles ClOC(C)(C)C
InChI
InChI=1/C4H9ClO/c1-4(2,3)6-5/h1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9ClO
Molecular Weight 108.03
AlogP 1.96
Hydrogen Bond Acceptor 1.0
Polar Surface Area 9.23
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 507-40-4
NORMAN SUSDAT
FDA SRS LS2JTI16JZ
PubChem 521297