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477869-56-0

477869-56-0 structural image
Product Name: 2-[(2-NITRO-4-([3-(TRIFLUOROMETHYL)PHENOXY]METHYL)PHENYL)SULFANYL]-1,3-BENZOTHIAZOLE
Formula: C21H13F3N2O3S2
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COMPUTED DESCRIPTORS

Molecular Weight 462.5 g/mol
XLogP3 7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 5
Exact Mass 462.03196911 g/mol
Monoisotopic Mass 462.03196911 g/mol
Topological Polar Surface Area 122 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 622
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