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285987-29-3

285987-29-3 structural image
Product Name: 2,6-DI(1H-IMIDAZOL-1-YL)BENZENECARBONITRILE
Formula: C13H9N5
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COMPUTED DESCRIPTORS

Molecular Weight 235.24 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 235.08579531 g/mol
Monoisotopic Mass 235.08579531 g/mol
Topological Polar Surface Area 59.4 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 312
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