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478078-33-0

478078-33-0 structural image
Product Name: (E)-3-(6-BROMO-1,3-BENZODIOXOL-5-YL)-1-[4-(2-FLUOROPHENYL)PIPERAZINO]-2-PROPEN-1-ONE
Formula: C20H18BrFN2O3
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COMPUTED DESCRIPTORS

Molecular Weight 433.3 g/mol
XLogP3 4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 432.04848 g/mol
Monoisotopic Mass 432.04848 g/mol
Topological Polar Surface Area 42 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 555
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes