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478048-28-1

478048-28-1 structural image
Product Name: 4-(4-CHLOROPHENYL)-2-[4-(TRIFLUOROMETHOXY)PHENYL]-1(2H)-PHTHALAZINONE
Formula: C21H12ClF3N2O2
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COMPUTED DESCRIPTORS

Molecular Weight 416.8 g/mol
XLogP3 6.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 416.0539398 g/mol
Monoisotopic Mass 416.0539398 g/mol
Topological Polar Surface Area 41.9 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 626
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