Keyword(s): Human Metabolites
Molecule Category Free-form
UNII I01EXU3P3J
EPA CompTox DTXSID7022176

Structure

InChI Key WWOBYPKUYODHDG-UHFFFAOYSA-N
Smiles Oc1ccc(Cl)cc1O
InChI
InChI=1S/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5Cl1O2
Molecular Weight 144.0
AlogP 1.75
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 40.46
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 2138-22-9
NORMAN SUSDAT
FDA SRS I01EXU3P3J
PubChem 16496
ChemSpider 15638.0