Cas no 834884-80-9 ( )

  structure
  structure
Product Name: 
CAS No:834884-80-9
MF:C13H8N2O
MW:208.21542263031
MDL:MFCD06410033
CID:870511
PubChem ID:24883776
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 3-(6-FORMYL-PYRIDIN-2-YL)-BENZONITRILE
    • 3-(6-Formyl-2-pyridyl)benzonitrile
    • 3-(6-Formylpyridin-2-yl)benzonitrile
    • 3-(6-Formylpyridin-2-yl)benzonitrile, 97%
    • 834884-80-9
    • MFCD06410033
    • AB23912
    • AKOS027380141
    • SCHEMBL19212699
    • DTXSID40364052
    • A1-20949
    •  
    • MDL: MFCD06410033
    • Inchi: 1S/C13H8N2O/c14-8-10-3-1-4-11(7-10)13-6-2-5-12(9-16)15-13/h1-7,9H
    • InChI Key: SBBBRGAVNLQEHG-UHFFFAOYSA-N
    • SMILES: O=CC1=CC=CC(C2C=CC=C(C#N)C=2)=N1

Computed Properties

  • Exact Mass: 208.064
  • Monoisotopic Mass: 208.064
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 294
  • 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
  • Topological Polar Surface Area: 53.8A^2
  • XLogP3: 2

Experimental Properties

  • Density: 1.25
  • Melting Point: 167-171?°C (lit.)
  • Boiling Point: 398.1°C at 760 mmHg
  • Flash Point: 194.6°C
  • Refractive Index: 1.624
  • PSA: 53.75000
  • LogP: 2.43278

  Security Information

  Pricemore >>

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