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303994-64-1

303994-64-1 structural image
Product Name: 5-(TERT-BUTYL)-2-([4-(TRIFLUOROMETHYL)BENZYL]OXY)ISOPHTHALONITRILE
Formula: C20H17F3N2O
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COMPUTED DESCRIPTORS

Molecular Weight 358.4 g/mol
XLogP3 5.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 358.12929766 g/mol
Monoisotopic Mass 358.12929766 g/mol
Topological Polar Surface Area 56.8 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 543
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