J 147
Bezeichnung:J 147
CAS-Nr1146963-51-0
Englisch Name:J 147
CBNumberCB52652639
SummenformelC18H17F3N2O2
Molgewicht350.33
MOL-Datei1146963-51-0.mol
J 147 physikalisch-chemischer Eigenschaften
Siedepunkt | 412.8±55.0 °C(Predicted) |
Dichte | 1.18±0.1 g/cm3(Predicted) |
storage temp. | Sealed in dry,Room Temperature |
Löslichkeit | DMSO:68.0(Max Conc. mg/mL);194.1(Max Conc. mM) |
Aggregatzustand | Powder |
pka | 0.80±0.50(Predicted) |
InChI | InChI=1S/C18H17F3N2O2/c1-12-7-8-16(13(2)9-12)23(17(24)18(19,20)21)22-11-14-5-4-6-15(10-14)25-3/h4-11H,1-3H3 |
InChIKey | HYMZAYGFKNNHDN-UHFFFAOYSA-N |
SMILES | C(N(C1=CC=C(C)C=C1C)N=CC1=CC=CC(OC)=C1)(=O)C(F)(F)F |