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474706-58-6

474706-58-6 structural image
Product Name: [3-(TRIFLUOROMETHYL)-1-TRITYL-1H-PYRAZOL-4-YL]BORONIC ACID
Formula: C23H18BF3N2O2
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COMPUTED DESCRIPTORS

Molecular Weight 422.2 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 422.1413425 g/mol
Monoisotopic Mass 422.1413425 g/mol
Topological Polar Surface Area 58.3 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 528
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