Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZA43R4Q315
EPA CompTox DTXSID3024811

Structure

InChI Key ISRGONDNXBCDBM-UHFFFAOYSA-N
Smiles Clc1ccccc1C=C
InChI
InChI=1S/C8H7Cl/c1-2-7-5-3-4-6-8(7)9/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 2039-87-4
NORMAN SUSDAT
FDA SRS ZA43R4Q315
PubChem 14906
ChemSpider 14205.0