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97963-59-2

97963-59-2 structural image
Product Name: 5-TRIFLUOROMETHOXY-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-THIONE
Formula: C8H5F3N2OS
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COMPUTED DESCRIPTORS

Molecular Weight 234.20 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 234.00746845 g/mol
Monoisotopic Mass 234.00746845 g/mol
Topological Polar Surface Area 65.4 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 271
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