Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KJ88LSA4W6
EPA CompTox DTXSID10227009

Structure

InChI Key BOQNBJCFILUPHH-UHFFFAOYSA-N
Smiles ICc1ccc(o1)C=O
InChI
InChI=1S/C6H5IO2/c7-3-5-1-2-6(4-8)9-5/h1-2,4H,3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5I1O2
Molecular Weight 235.93
AlogP 2.03
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 30.21
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 76154-40-0
NORMAN SUSDAT
FDA SRS KJ88LSA4W6
PubChem 11970641
ChemSpider 10144024.0