SODIUM 2-CHLORO-1-HYDROXYETHANESULPHONATE

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Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID50926847

Structure

InChI Key FOSIEWVVVRVFJH-UHFFFAOYSA-M
Smiles [Na+].O=S(=O)([O-])C(O)CCl
InChI
InChI=1/C2H5ClO4S.Na/c3-1-2(4)8(5,6)7;/h2,4H,1H2,(H,5,6,7);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H5ClO4S
Molecular Weight 181.94
AlogP -3.91
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 77.43
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 13064-50-1
NORMAN SUSDAT
PubChem 114452
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