Structure

InChI Key ZSHHRBYVHTVRFK-UHFFFAOYSA-N
Smiles NS(=O)(=O)c1cc(C(O)=O)c(Cl)cc1Cl
InChI
InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5Cl2N1O4S1
Molecular Weight 268.93
AlogP 1.34
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 97.46
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 2736-23-4
NORMAN SUSDAT
FDA SRS LEG53TF0SN
PubChem 17655
ChemSpider 16688.0