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439107-82-1

439107-82-1 structural image
Product Name: 2-(METHYLSULFANYL)-7-PHENYL-5-(TRIFLUOROMETHYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE
Formula: C13H9F3N4S
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COMPUTED DESCRIPTORS

Molecular Weight 310.30 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 2
Exact Mass 310.05000196 g/mol
Monoisotopic Mass 310.05000196 g/mol
Topological Polar Surface Area 68.4 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 362
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