Keyword(s): Human Metabolites
Molecule Category Free-form
UNII J618WT46OL
EPA CompTox DTXSID70208177

Structure

InChI Key FTMNWZHKQGKKAU-UHFFFAOYSA-N
Smiles ClCc1ccccc1I
InChI
InChI=1S/C7H6ClI/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6Cl1I1
Molecular Weight 251.92
AlogP 3.03
Number of Rotational Bond 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 59473-45-9
NORMAN SUSDAT
FDA SRS J618WT46OL
PubChem 101064
ChemSpider 87123.0