Cas no 64583-21-7 (Benzene,1-fluoro-4-[2-(4-nitrophenyl)ethynyl]-)

Benzene,1-fluoro-4-[2-(4-nitrophenyl)ethynyl]- structure
64583-21-7 structure
Product Name:Benzene,1-fluoro-4-[2-(4-nitrophenyl)ethynyl]-
CAS No:64583-21-7
MF:C14H8FNO2
MW:241.217226982117
CID:500793
PubChem ID:11579604
Update Time:2025-04-19

Benzene,1-fluoro-4-[2-(4-nitrophenyl)ethynyl]- Chemical and Physical Properties

Names and Identifiers

    • 1-FLUORO-4-(2-(4-NITROPHENYL)ETHYLNYL)BENZENE
    • 1-Fluoro-4-[(4-nitrophenyl)ethynyl]benzene
    • Benzene,1-fluoro-4-[2-(4-nitrophenyl)ethynyl]-
    • 1-Fluor-3-trichlormethyl-benzol
    • 1-fluoro-3-trichloromethyl-benzene
    • 1-fluoro-4-((4-nitrophenyl)ethynyl)benzene
    • 1-fluoro-4-(2-(4-nitrophenyl)ethynyl)benzene
    • 3-fluoro-1-(trichloromethyl)benzene
    • 3-Fluorobenzotrichloride
    • 3-trichloromethylfluorobenzene
    • 5-fluorobenzotrichloride
    • AC1L28I8
    • AC1Q3GS8
    • CTK4I2616
    • EINECS 206-931-0
    • KSC582M1N
    • m-FC6H4CCl3
    • SureCN7062766
    • AKOS015966007
    • 64583-21-7
    • 1-[2-(4-FLUOROPHENYL)ETHYNYL]-4-NITROBENZENE
    • SCHEMBL8615996
    • Inchi: 1S/C14H8FNO2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(17)18/h3-10H
    • InChI Key: ZITIPCXISLNCKV-UHFFFAOYSA-N
    • SMILES: FC1C=CC(C#CC2C=CC(=CC=2)[N+](=O)[O-])=CC=1

Computed Properties

  • Exact Mass: 241.05394
  • Monoisotopic Mass: 241.05390666g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 349
  • 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: 3.9
  • Topological Polar Surface Area: 45.8?2

Experimental Properties

  • PSA: 43.14
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