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856250-49-2

856250-49-2 structural image
Product Name: 2-BENZYL-4-CHLORO-5-TRIFLUOROMETHANESULFONYLOXY-3(2H)-PYRIDAZINONE
Formula: C12H8ClF3N2O4S
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COMPUTED DESCRIPTORS

Molecular Weight 368.72 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 4
Exact Mass 367.9845401 g/mol
Monoisotopic Mass 367.9845401 g/mol
Topological Polar Surface Area 84.4 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 634
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