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841205-47-8

Name (S)-N-(4-cyano-3-(trifluoromethyl)phenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
CAS 841205-47-8
EINECS(EC#) 803-892-7
Molecular Formula C19H14F3N3O3
MDL Number MFCD16877675
Molecular Weight 389.33
MOL File 841205-47-8.mol

Chemical Properties

Boiling point  632.3±55.0 °C(Predicted)
density  1.41±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO:70.0(Max Conc. mg/mL);179.8(Max Conc. mM)
pka 12.13±0.29(Predicted)
InChI InChI=1S/C19H14F3N3O3/c1-18(27,11-28-15-6-2-12(9-23)3-7-15)17(26)25-14-5-4-13(10-24)16(8-14)19(20,21)22/h2-8,27H,11H2,1H3,(H,25,26)/t18-/m0/s1
InChIKey JNGVJMBLXIUVRD-SFHVURJKSA-N
SMILES C(NC1=CC=C(C#N)C(C(F)(F)F)=C1)(=O)[C@](O)(C)COC1=CC=C(C#N)C=C1

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