1130901-04-0

Name Arbidol Impurity 1
CAS 1130901-04-0
Molecular Formula C21H23BrN2O3S
Molecular Weight 463.39
MOL File 1130901-04-0.mol
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Chemical Properties

Boiling point  604.5±55.0 °C(Predicted)
density  1.42±0.1 g/cm3(Predicted)
pka 6.44±0.50(Predicted)
InChI InChI=1S/C21H23BrN2O3S/c1-4-27-21(26)19-17(12-28-13-8-6-5-7-9-13)24(3)16-10-15(22)20(25)14(11-23-2)18(16)19/h5-10,23,25H,4,11-12H2,1-3H3
InChIKey JIQJHSYZKOCTIF-UHFFFAOYSA-N
SMILES N1(C)C2=C(C(CNC)=C(O)C(Br)=C2)C(C(OCC)=O)=C1CSC1=CC=CC=C1

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