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1373038-57-3

1373038-57-3 structural image
Product Name: Valdecoxib 3'-Sulfonyl Chloride IMpurity
Formula: C16H12ClNO3S
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COMPUTED DESCRIPTORS

Molecular Weight 333.8 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 333.0226421 g/mol
Monoisotopic Mass 333.0226421 g/mol
Topological Polar Surface Area 68.6 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 472
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes