Structure

InChI Key OVSKIKFHRZPJSS-UHFFFAOYSA-N
Smiles ClC1=C(OCC(O)=O)C=CC(Cl)=C1
InChI
InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H6Cl2O3
Molecular Weight 219.97
AlogP 2.46
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 46.53
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 94-75-7
NORMAN SUSDAT
FDA SRS 2577AQ9262
PubChem 1486
ChemSpider 1441.0