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

Structure

InChI Key QMSVNDSDEZTYAS-UHFFFAOYSA-N
Smiles ClC(Br)C
InChI
InChI=1/C2H4BrCl/c1-2(3)4/h2H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H4BrCl
Molecular Weight 141.92
AlogP 1.97
Hydrogen Bond Acceptor 0.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 0.0
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 4.0

Cross References

Resources Reference
CAS NUMBER 593-96-4
NORMAN SUSDAT
PubChem 11654