Cas no 647858-19-3 (Ethanol, 2-(2-fluoro-4-nitrophenoxy)-)

Ethanol, 2-(2-fluoro-4-nitrophenoxy)- structure
647858-19-3 structure
Product Name:Ethanol, 2-(2-fluoro-4-nitrophenoxy)-
CAS No:647858-19-3
MF:C8H8FNO4
MW:201.151825904846
CID:415851
PubChem ID:43510053
Update Time:2025-04-19

Ethanol, 2-(2-fluoro-4-nitrophenoxy)- Chemical and Physical Properties

Names and Identifiers

    • Ethanol, 2-(2-fluoro-4-nitrophenoxy)-
    • 2-(2-fluoro-4-nitrophenoxy)ethanol
    • 2-(2-Fluoro-4-nitrophenoxy)ethan-1-ol
    • DTXSID50656096
    • 647858-19-3
    • Inchi： 1S/C8H8FNO4/c9-7-5-6(10(12)13)1-2-8(7)14-4-3-11/h1-2,5,11H,3-4H2
    • InChI Key： IDKDFIXHUVSGNZ-UHFFFAOYSA-N
    • SMILES： FC1C=C(C=CC=1OCCO)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 201.04374
  • Monoisotopic Mass: 201.04373590g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 196
  • 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: 1.1
  • Topological Polar Surface Area: 75.3?2

Experimental Properties

  • PSA: 72.6

Ethanol, 2-(2-fluoro-4-nitrophenoxy)- Related Literature

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