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254888-04-5

254888-04-5 structural image
Product Name: 3-(TERT-BUTYL)-2-(4-NITROPHENYL)-6-NITROINDENO[3,2-C]PYRAZOL-4-ONE
Formula: C20H16N4O5
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COMPUTED DESCRIPTORS

Molecular Weight 392.4 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Exact Mass 392.11206962 g/mol
Monoisotopic Mass 392.11206962 g/mol
Topological Polar Surface Area 127 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 689
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