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339012-98-5

339012-98-5 structural image
Product Name: 2-(4-BENZOYLPHENYL)-2-(2-THIENYL)ACETONITRILE
Formula: C19H13NOS
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COMPUTED DESCRIPTORS

Molecular Weight 303.4 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 303.07178521 g/mol
Monoisotopic Mass 303.07178521 g/mol
Topological Polar Surface Area 69.1 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 426
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes