Keyword(s): Human Metabolites
Molecule Category Free-form
UNII C7T86VN1QZ
EPA CompTox DTXSID3060748

Structure

InChI Key MNNZINNZIQVULG-UHFFFAOYSA-N
Smiles ClCCc1ccccc1
InChI
InChI=1S/C8H9Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H9Cl1
Molecular Weight 140.04
AlogP 2.47
Number of Rotational Bond 2.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 622-24-2
NORMAN SUSDAT
FDA SRS C7T86VN1QZ
PubChem 231496
ChemSpider 21168831.0