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2031161-35-8

Name UT-155
CAS 2031161-35-8
Molecular Formula C20H15F4N3O2
MDL Number MFCD31746902
Molecular Weight 405.35
MOL File 2031161-35-8.mol
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Chemical Properties

Boiling point  613.6±55.0 °C(Predicted)
density  1.36±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO:100.0(Max Conc. mg/mL);246.7(Max Conc. mM)
form  Solid
pka 12.74±0.29(Predicted)
color  White to off-white
InChI InChI=1/C20H15F4N3O2/c1-19(29,11-27-7-6-12-8-14(21)3-5-17(12)27)18(28)26-15-4-2-13(10-25)16(9-15)20(22,23)24/h2-9,29H,11H2,1H3,(H,26,28)/t19-/s3
InChIKey CFSAYQVTXBMPRF-DETXXQSHNA-N
SMILES C(N1C=CC2=CC(F)=CC=C12)[C@@](O)(C)C(=O)NC1C=CC(C#N)=C(C(F)(F)F)C=1 |&1:11,r|

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