Keyword(s): Human Metabolites
Molecule Category Free-form
UNII R4Y96317DW
EPA CompTox DTXSID3058822

Structure

InChI Key CTSLXHKWHWQRSH-UHFFFAOYSA-N
Smiles ClC(=O)C(Cl)=O
InChI
InChI=1S/C2Cl2O2/c3-1(5)2(4)6

Physicochemical Descriptors

Property Name Value
Molecular Formula C2Cl2O2
Molecular Weight 125.93
AlogP 0.52
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 34.14
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 79-37-8
NORMAN SUSDAT
FDA SRS R4Y96317DW
PubChem 65578
ChemSpider 59021.0