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189954-96-9

Name Firocoxib
CAS 189954-96-9
EINECS(EC#) 200-001-2
Molecular Formula C17H20O5S
MDL Number MFCD09837800
Molecular Weight 336.4
MOL File 189954-96-9.mol

Chemical Properties

Melting point  78-80°C
Boiling point  563.9±50.0 °C(Predicted)
density  1.31
storage temp.  -20?C Freezer
solubility  Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form  Solid
color  White to Off-White
InChI InChI=1S/C17H20O5S/c1-17(2)14(12-6-8-13(9-7-12)23(3,19)20)15(16(18)22-17)21-10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3
InChIKey FULAPETWGIGNMT-UHFFFAOYSA-N
SMILES O1C(C)(C)C(C2=CC=C(S(C)(=O)=O)C=C2)=C(OCC2CC2)C1=O

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