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

Structure

InChI Key XBDXMDVEZLOGMC-UHFFFAOYSA-N
Smiles Fc1cccc(CCl)c1
InChI
InChI=1S/C7H6ClF/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6Cl1F1
Molecular Weight 144.01
AlogP 2.56
Number of Rotational Bond 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 456-42-8
NORMAN SUSDAT