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1373038-56-2 | Valdecoxib 3'-SulfonaMide IMpurity
CAS No: 1373038-56-2 Catalog No: AG009JKN MDL No:
Product Description
Catalog Number:
AG009JKN
Chemical Name:
Valdecoxib 3'-SulfonaMide IMpurity
CAS Number:
1373038-56-2
IUPAC Name:
3-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzenesulfonamide
InChI:
InChI=1S/C16H14N2O3S/c1-11-15(12-6-3-2-4-7-12)16(18-21-11)13-8-5-9-14(10-13)22(17,19)20/h2-10H,1H3,(H2,17,19,20)
InChI Key:
OIVOENPBZYPLRV-UHFFFAOYSA-N
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.073g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.359g/mol
Monoisotopic Mass:
314.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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