Cas no 1033202-20-8 (3-Ethoxy-2-fluorobenzonitrile)

3-Ethoxy-2-fluorobenzonitrile structure
3-Ethoxy-2-fluorobenzonitrile structure
Product Name:3-Ethoxy-2-fluorobenzonitrile
CAS No:1033202-20-8
MF:C9H8FNO
MW:165.164325714111
MDL:MFCD10699689
CID:857908
PubChem ID:46738784
Update Time:2025-04-19

3-Ethoxy-2-fluorobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Ethoxy-2-fluorobenzonitrile
    • ACMC-20986e
    • AG-D-13945
    • AK-96084
    • ANW-14868
    • CTK4A1971
    • SureCN1579020
    • MDL: MFCD10699689
    • Inchi: 1S/C9H8FNO/c1-2-12-8-5-3-4-7(6-11)9(8)10/h3-5H,2H2,1H3
    • InChI Key: NRUNOKNBZYDSTD-UHFFFAOYSA-N
    • SMILES: FC1C(C#N)=CC=CC=1OCC

Computed Properties

  • Exact Mass: 165.05900
  • Monoisotopic Mass: 165.058992041g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 186
  • 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: 2.1
  • Topological Polar Surface Area: 33?2

Experimental Properties

  • Density: 1.14±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 244.3±25.0 oC (760 Torr),
  • Flash Point: 101.5±23.2 oC,
  • Solubility: Almost insoluble (0.078 g/l) (25 o C),
  • PSA: 33.02000
  • LogP: 2.09608

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