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313967-96-3

313967-96-3 structural image
Product Name: 4-[3,5-BIS(4-BROMOPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-4-OXOBUTANOIC ACID
Formula: C19H16Br2N2O3
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COMPUTED DESCRIPTORS

Molecular Weight 480.1 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 479.95072 g/mol
Monoisotopic Mass 477.95277 g/mol
Topological Polar Surface Area 70 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 553
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