Cas no 102536-05-0 (3-(2-Phenylhydrazinyl)benzonitrile)

3-(2-Phenylhydrazinyl)benzonitrile structure
102536-05-0 structure
Product Name:3-(2-Phenylhydrazinyl)benzonitrile
CAS No:102536-05-0
MF:C13H11N3
MW:209.246542215347
CID:2623359
PubChem ID:13641291
Update Time:2025-04-21

3-(2-Phenylhydrazinyl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • DA-16209
    • 102536-05-0
    • DTXSID00545683
    • Benzonitrile, 3-(2-phenylhydrazinyl)-
    • DTXCID80496467
    • 3-(2-phenylhydrazinyl)Benzonitrile
    • 3-(2-Phenylhydrazinyl)benzonitrile
    • Inchi: 1S/C13H11N3/c14-10-11-5-4-8-13(9-11)16-15-12-6-2-1-3-7-12/h1-9,15-16H
    • InChI Key: WWDTXERQSODZHI-UHFFFAOYSA-N
    • SMILES: N(C1C=CC=C(C#N)C=1)NC1C=CC=CC=1

Computed Properties

  • Exact Mass: 209.095297g/mol
  • Monoisotopic Mass: 209.095297g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 249
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 209.25g/mol
  • XLogP3: 2.7
  • Topological Polar Surface Area: 47.8?2
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