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338394-13-1

338394-13-1 structural image
Product Name: 4-(4-METHYLPHENYL)-3-(NITROMETHYL)-5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOLE
Formula: C11H9F3N4O2
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COMPUTED DESCRIPTORS

Molecular Weight 286.21 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 2
Exact Mass 286.06776003 g/mol
Monoisotopic Mass 286.06776003 g/mol
Topological Polar Surface Area 76.5 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 353
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