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Home > Encyclopedia > 4-(5-Isoxazolyl)benzonitrile

4-(5-Isoxazolyl)benzonitrile

4-(5-Isoxazolyl)benzonitrile structure

4-(5-Isoxazolyl)benzonitrile 

structure
  • CAS No:

    314267-83-9

  • Formula:

    C10H6N2O

  • Chemical Name:

    4-(5-Isoxazolyl)benzonitrile

  • Synonyms:

    Benzonitrile,4-(5-isoxazolyl)-;4-(5-Isoxazolyl)benzonitrile

4-(5-Isoxazolyl)benzonitrile Basic Attributes

170.16744

170.17

Characteristics

49.8

1.7

1.25±0.1 g/cm3(Predicted)

Computed Properties

Molecular Weight:170.17
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:170.048012819
Monoisotopic Mass:170.048012819
Topological Polar Surface Area:49.8
Heavy Atom Count:13
Complexity:212
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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