Keyword(s): Human Metabolites
Molecule Category Free-form
UNII W2XE8UK3HF
EPA CompTox DTXSID70210210

Structure

InChI Key BLRPQFOUUPCTED-UHFFFAOYSA-N
Smiles CC(C)(C)CC(Cl)Cl
InChI
InChI=1S/C6H12Cl2/c1-6(2,3)4-5(7)8/h5H,4H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12Cl2
Molecular Weight 154.03
AlogP 3.23
Number of Rotational Bond 1.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 6130-96-7
NORMAN SUSDAT
FDA SRS W2XE8UK3HF
PubChem 80212
ChemSpider 72456.0