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338962-72-4

338962-72-4 structural image
Product Name: 2-(4-CYANOPIPERIDINO)ISOPHTHALONITRILE
Formula: C14H12N4
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COMPUTED DESCRIPTORS

Molecular Weight 236.27 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 236.106196400 g/mol
Monoisotopic Mass 236.106196400 g/mol
Topological Polar Surface Area 74.6 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 410
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