ValdecoxibIMpurityB

Cat. No.: PI1373038608

Product Details Computed Properties

CAS	1373038-60-8
Synonyms	4-(5-methyl-3-phenylisoxazol-4-yl)-N-((4-(5-methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)benzenesulfonamide
Molecular Formula	C32H25N3O6S2
Molecular Weight	611.69
Density	1.343±0.06 g/cm3
Boiling Point	732.7±70.0 °C(Predicted)
pKa	-4.23±0.40

XLogP3	6.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Exact Mass	611.11847787
Monoisotopic Mass	611.11847787
Heavy Atom Count	43
Complexity	1020
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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