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1450723-64-4

1450723-64-4 structural image
Product Name: Benzonitrile, 4-[(3,5-difluorophenyl)thio]-
Formula: C13H7F2NS
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COMPUTED DESCRIPTORS

Molecular Weight 247.26 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 247.02672673 g/mol
Monoisotopic Mass 247.02672673 g/mol
Topological Polar Surface Area 49.1 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 283
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