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

Structure

InChI Key YMHXXJJTAGKFBA-UHFFFAOYSA-N
Smiles ClC(C)CBr
InChI
InChI=1/C3H6BrCl/c1-3(5)2-4/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 3017-96-7
NORMAN SUSDAT
PubChem 18176