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52100-32-0

52100-32-0 structural image
Product Name: 5-BROMO-3,6,6-TRIMETHYL-1-PHENYL-1,5,6,7-TETRAHYDRO-4H-INDAZOL-4-ONE
Formula: C16H17BrN2O
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COMPUTED DESCRIPTORS

Molecular Weight 333.22 g/mol
XLogP3 4.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 332.05243 g/mol
Monoisotopic Mass 332.05243 g/mol
Topological Polar Surface Area 34.9 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 392
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes