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116526-42-2

116526-42-2 structural image
Product Name: 4-(4-Chlorophenyl)-2-(methylthio)-3-thiophenecarbonitrile
Formula: C12H8ClNS2
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COMPUTED DESCRIPTORS

Molecular Weight 265.8 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 264.9786693 g/mol
Monoisotopic Mass 264.9786693 g/mol
Topological Polar Surface Area 77.3 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 280
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