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478246-57-0

478246-57-0 structural image
Product Name: METHYL 4-(4-[2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]PIPERAZINO)-3-NITROBENZENECARBOXYLATE
Formula: C19H16F3N5O8
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COMPUTED DESCRIPTORS

Molecular Weight 499.4 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 4
Exact Mass 499.09509697 g/mol
Monoisotopic Mass 499.09509697 g/mol
Topological Polar Surface Area 170 Ų
Heavy Atom Count 35
Formal Charge 0
Complexity 797
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