Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key TVDCSPSRGSLXOV-UHFFFAOYSA-N
Smiles ClCC(O)CBr
InChI
InChI=1/C3H6BrClO/c4-1-3(6)2-5/h3,6H,1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H6BrClO
Molecular Weight 171.93
AlogP 0.98
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 20.23
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 4540-44-7
NORMAN SUSDAT
PubChem 20664