Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70196424

Structure

InChI Key DYQIYXDSKUUZRI-UHFFFAOYSA-N
Smiles FC1=CC=C(I)C=C1C
InChI
InChI=1/C7H6FI/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6FI
Molecular Weight 235.95
AlogP 2.74
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 452-68-6
NORMAN SUSDAT
PubChem 521178