Keyword(s): Human Metabolites
Molecule Category Free-form
UNII T0J05U220F
EPA CompTox DTXSID4061464

Structure

InChI Key KTZVZZJJVJQZHV-UHFFFAOYSA-N
Smiles Clc1ccc(C=C)cc1
InChI
InChI=1S/C8H7Cl/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H7Cl1
Molecular Weight 138.02
AlogP 2.98
Number of Rotational Bond 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 1073-67-2
NORMAN SUSDAT
FDA SRS T0J05U220F
PubChem 14085
ChemSpider 13465.0