Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 234V97K06A
EPA CompTox DTXSID20870747

Structure

InChI Key GTLWADFFABIGAE-UHFFFAOYSA-N
Smiles ClC(C=1C=CC=CC1)C
InChI
InChI=1/C8H9Cl/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H9Cl
Molecular Weight 140.04
AlogP 2.99
Number of Rotational Bond 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 672-65-1
NORMAN SUSDAT
FDA SRS 234V97K06A
PubChem 12648