Keyword(s): Human Metabolites
Molecule Category Free-form
UNII K5E7WV7UTV
EPA CompTox DTXSID1058975

Structure

InChI Key BXSVYGKOUULJCL-UHFFFAOYSA-N
Smiles ClC(Cl)c1ccccc1Cl
InChI
InChI=1S/C7H5Cl3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,7H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5Cl3
Molecular Weight 193.95
AlogP 3.82
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 88-66-4
NORMAN SUSDAT
FDA SRS K5E7WV7UTV
PubChem 66624
ChemSpider 59991.0