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100005-79-6

100005-79-6 structural image
Product Name: 4-(THIEN-2-YLMETHYL)BENZONITRILE
Formula: C12H9NS
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COMPUTED DESCRIPTORS

Molecular Weight 199.27 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 199.04557046 g/mol
Monoisotopic Mass 199.04557046 g/mol
Topological Polar Surface Area 52 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 222
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