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Robenacoxib Structure

Robenacoxib

Chemical Properties

Melting point 152-155°C
Boiling point 350.1±42.0 °C(Predicted)
Density  1.407±0.06 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 4.16±0.10(Predicted)
color  White to Off-White
InChI InChI=1S/C16H13F4NO2/c1-2-8-3-4-12(9(5-8)6-13(22)23)21-16-14(19)10(17)7-11(18)15(16)20/h3-5,7,21H,2,6H2,1H3,(H,22,23)
InChIKey ZEXGDYFACFXQPF-UHFFFAOYSA-N
SMILES C1(CC(O)=O)=CC(CC)=CC=C1NC1=C(F)C(F)=CC(F)=C1F

Usage And Synthesis

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