62004-05-1

Name Teriflunomide Impurity 3
CAS 62004-05-1
Molecular Formula C12H9F3N2O2
Molecular Weight 270.21
MOL File 62004-05-1.mol
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Chemical Properties

Boiling point  405.5±45.0 °C(Predicted)
density  1.424±0.06 g/cm3(Predicted)
pka 5.20±0.50(Predicted)
InChI InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-3-8(5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)
InChIKey UJBZHNQIBVHDDU-UHFFFAOYSA-N
SMILES C(NC1=CC=CC(C(F)(F)F)=C1)(=O)C(C#N)=C(O)C

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