Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KNA8VTX8BT
EPA CompTox DTXSID30871003

Structure

InChI Key PUJJZGFFAQHYEX-UHFFFAOYSA-N
Smiles ClCC(Br)C
InChI
InChI=1/C3H6BrCl/c1-3(4)2-5/h3H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H6BrCl
Molecular Weight 155.93
AlogP 2.01
Number of Rotational Bond 1.0
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 3017-95-6
NORMAN SUSDAT
FDA SRS KNA8VTX8BT
PubChem 18175