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51238-46-1

51238-46-1 structural image
Product Name: 4-(phenylsulfanyl)benzonitrile
Formula: C13H9NS
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COMPUTED DESCRIPTORS

Molecular Weight 211.28 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 211.04557046 g/mol
Monoisotopic Mass 211.04557046 g/mol
Topological Polar Surface Area 49.1 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 228
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

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