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338748-62-2

338748-62-2 structural image
Product Name: 2-(4-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]PIPERAZINO)ETHYL 3-(TRIFLUOROMETHYL)BENZENECARBOXYLATE
Formula: C21H19F6N3O4
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COMPUTED DESCRIPTORS

Molecular Weight 491.4 g/mol
XLogP3 5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 6
Exact Mass 491.12797507 g/mol
Monoisotopic Mass 491.12797507 g/mol
Topological Polar Surface Area 78.6 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 706
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