Cas no 1255871-11-4 (4-(5-Formylpyridin-3-yl)benzonitrile)

4-(5-Formylpyridin-3-yl)benzonitrile structure
1255871-11-4 structure
Product Name:4-(5-Formylpyridin-3-yl)benzonitrile
CAS No:1255871-11-4
MF:C13H8N2O
MW:208.21542263031
CID:1033911
PubChem ID:59578411
Update Time:2025-04-20

4-(5-Formylpyridin-3-yl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-(5-Formylpyridin-3-yl)benzonitrile
    • QYHAIROWTHDPEY-UHFFFAOYSA-N
    • EN300-716005
    • 4-(5-formyl-pyridin-3-yl)-benzonitrile
    • DB-315818
    • 1255871-11-4
    • CS-0443310
    • SCHEMBL746371
    • Benzonitrile, 4-(5-formyl-3-pyridinyl)-
    • A1-29570
    • DTXSID30732423
    • Inchi： 1S/C13H8N2O/c14-6-10-1-3-12(4-2-10)13-5-11(9-16)7-15-8-13/h1-5,7-9H
    • InChI Key： QYHAIROWTHDPEY-UHFFFAOYSA-N
    • SMILES： O=CC1=CN=CC(=C1)C1C=CC(C#N)=CC=1

Computed Properties

  • Exact Mass: 208.063662883g/mol
  • Monoisotopic Mass: 208.063662883g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 286
  • 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
  • XLogP3: 1.7
  • Topological Polar Surface Area: 53.8?2

4-(5-Formylpyridin-3-yl)benzonitrile Pricemore >>

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