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69004-15-5

69004-15-5 structural image
Product Name: 1-Methyl-3-{3-methyl-4-[4-(trifluormethylsulfinyl)-phenoxy]-phenyl}-1,3,5-triazin-2,4,6(1H,3H,5H)-trion
Formula: C18H14F3N3O5S
Synonyms: 1-Methyl-3-{3-methyl-4-[4-(trifluormethylsulfinyl)-phenoxy]-phenyl}-1,3,5-triazin-2,4,6(1H,3H,5H)-trion
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COMPUTED DESCRIPTORS

Molecular Weight 441.4 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 4
Exact Mass 441.06062622 g/mol
Monoisotopic Mass 441.06062622 g/mol
Topological Polar Surface Area 115 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 726
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes