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

Structure

InChI Key XSESUBJBCQPSAT-UHFFFAOYSA-N
Smiles ClCC=CBr
InChI
InChI=1/C3H4BrCl/c4-2-1-3-5/h1-2H,3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4BrCl
Molecular Weight 153.92
AlogP 2.13
Number of Rotational Bond 1.0
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 37675-31-3
NORMAN SUSDAT
PubChem 3015930