Cas no 5387-93-9 (Cinnoline,4-[2-(3-fluorophenyl)ethenyl]-)

Cinnoline,4-[2-(3-fluorophenyl)ethenyl]- structure
5387-93-9 structure
Product Name:Cinnoline,4-[2-(3-fluorophenyl)ethenyl]-
CAS No:5387-93-9
MF:C16H11FN2
MW:250.270346879959
CID:384038
PubChem ID:6292936
Update Time:2025-04-19

Cinnoline,4-[2-(3-fluorophenyl)ethenyl]- Chemical and Physical Properties

Names and Identifiers

    • Cinnoline,4-[2-(3-fluorophenyl)ethenyl]-
    • 4-[2-(3-fluorophenyl)ethenyl]cinnoline
    • 5387-93-9
    • 4-(3-Fluorostyryl)cinnoline
    • NSC66104
    • NSC-66104
    • Inchi: 1S/C16H11FN2/c17-14-5-3-4-12(10-14)8-9-13-11-18-19-16-7-2-1-6-15(13)16/h1-11H/b9-8+
    • InChI Key: PMFCZNLXGDLNPN-CMDGGOBGSA-N
    • SMILES: FC1=CC=CC(=C1)/C=C/C1=CN=NC2C=CC=CC1=2

Computed Properties

  • Exact Mass: 250.09073
  • Monoisotopic Mass: 250.091
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 318
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 3.6
  • Topological Polar Surface Area: 25.8?2

Experimental Properties

  • Density: 1.267
  • Boiling Point: 415.5°Cat760mmHg
  • Flash Point: 205.1°C
  • Refractive Index: 1.716
  • PSA: 25.78
  • LogP: 3.93930
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