Valdecoxib IMpurity D

Chemical Properties

Melting point	>88°C (dec.)
Density	1.341±0.06 g/cm3(Predicted)
storage temp.	Sealed in dry,Room Temperature
solubility	Acetone (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
pka	-0.92±0.50(Predicted)
form	Solid
color	White to Off-White
InChI	InChI=1S/C16H13NO4S/c1-11-15(12-7-9-14(10-8-12)22(18,19)20)16(17-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H,18,19,20)
InChIKey	LLWOSCPRJRUVST-UHFFFAOYSA-N
SMILES	C1(S(O)(=O)=O)=CC=C(C2=C(C)ON=C2C2=CC=CC=C2)C=C1

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