1312815-35-2

Name FeBuxostat Impurity 18
CAS 1312815-35-2
Molecular Formula C12H9NO4S
Molecular Weight 263.27
MOL File 1312815-35-2.mol
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Chemical Properties

Boiling point  504.3±60.0 °C(Predicted)
density  1.493±0.06 g/cm3(Predicted)
pka 2.33±0.37(Predicted)
InChI InChI=1S/C12H9NO4S/c1-6-10(12(16)17)18-11(13-6)7-2-3-9(15)8(4-7)5-14/h2-5,15H,1H3,(H,16,17)
InChIKey ZNQXEYNLIWHYMY-UHFFFAOYSA-N
SMILES S1C(C(O)=O)=C(C)N=C1C1=CC=C(O)C(C=O)=C1

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