Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 11K8G759HC
EPA CompTox DTXSID8073130

Structure

InChI Key BOVQCIDBZXNFEJ-UHFFFAOYSA-N
Smiles Clc1cccc(C=C)c1
InChI
InChI=1S/C8H7Cl/c1-2-7-4-3-5-8(9)6-7/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 2039-85-2
NORMAN SUSDAT
FDA SRS 11K8G759HC
PubChem 14905
ChemSpider 14204.0