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380626-35-7

380626-35-7 structural image
Product Name: 3-THIEN-2-YLBENZONITRILE
Formula: C11H7NS
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COMPUTED DESCRIPTORS

Molecular Weight 185.25 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 185.02992040 g/mol
Monoisotopic Mass 185.02992040 g/mol
Topological Polar Surface Area 52 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 217
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