Cas no 394-93-4 (1-Fluoro-3-nitronaphthalene)

1-Fluoro-3-nitronaphthalene structure
1-Fluoro-3-nitronaphthalene structure
Product Name:1-Fluoro-3-nitronaphthalene
CAS No:394-93-4
MF:C10H6FNO2
MW:191.158545970917
CID:830087
PubChem ID:23235865
Update Time:2025-04-19

1-Fluoro-3-nitronaphthalene Chemical and Physical Properties

Names and Identifiers

    • 1-Fluoro-3-nitronaphthalene
    • DTXSID00631414
    • AKOS022172026
    • SCHEMBL10688399
    • 394-93-4
    • Inchi: 1S/C10H6FNO2/c11-10-6-8(12(13)14)5-7-3-1-2-4-9(7)10/h1-6H
    • InChI Key: MTSIRTDZHYZHBJ-UHFFFAOYSA-N
    • SMILES: FC1C=C(C=C2C=CC=CC2=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 191.03828
  • Monoisotopic Mass: 191.03825660g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 229
  • 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: 3.1
  • Topological Polar Surface Area: 45.8?2

Experimental Properties

  • PSA: 43.14

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