951120-33-5

Name PC 190723
CAS 951120-33-5
Molecular Formula C14H8ClF2N3O2S
MDL Number MFCD18382114
Molecular Weight 355.75
MOL File 951120-33-5.mol
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Chemical Properties

Melting point  218 °C
Boiling point  462.3±45.0 °C(Predicted)
density  1.593±0.06 g/cm3(Predicted)
form  Solid
pka 14.15±0.50(Predicted)
color  Light yellow to yellow
InChI InChI=1S/C14H8ClF2N3O2S/c15-6-3-8-14(19-4-6)23-10(20-8)5-22-9-2-1-7(16)11(12(9)17)13(18)21/h1-4H,5H2,(H2,18,21)
InChIKey INYJNSBDHOVLAH-UHFFFAOYSA-N
SMILES C(N)(=O)C1=C(F)C=CC(OCC2=NC3=CC(Cl)=CN=C3S2)=C1F

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