1807454-59-6

Name NP-G2-044
CAS 1807454-59-6
Molecular Formula C21H16F3N3O2
MDL Number MFCD32708511
Molecular Weight 399.37
MOL File 1807454-59-6.mol
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Chemical Properties

Boiling point  470.5±45.0 °C(Predicted)
density  1.36±0.1 g/cm3(Predicted)
form  Solid
pka 12.31±0.43(Predicted)
color  Off-white to light yellow
InChI InChI=1S/C21H16F3N3O2/c1-13-16(10-11-29-13)20(28)25-19-17-4-2-3-5-18(17)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24/h2-11H,12H2,1H3,(H,25,26,28)
InChIKey XLLRLAABUFOJPC-UHFFFAOYSA-N
SMILES O1C=CC(C(NC2C3=C(N(CC4=CC=C(C(F)(F)F)C=C4)N=2)C=CC=C3)=O)=C1C

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