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59854-97-6

59854-97-6 structural image
Product Name: 4-(5-heptylpyrimidin-2-yl)benzonitrile
Formula: C18H21N3
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COMPUTED DESCRIPTORS

Molecular Weight 279.4 g/mol
XLogP3 5.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 7
Exact Mass 279.173547683 g/mol
Monoisotopic Mass 279.173547683 g/mol
Topological Polar Surface Area 49.6 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 317
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