Cas no 26418-17-7 (Ethanone,1-(2-benzothiazolyl)-2-fluoro-)

Ethanone,1-(2-benzothiazolyl)-2-fluoro- structure
26418-17-7 structure
Product Name:Ethanone,1-(2-benzothiazolyl)-2-fluoro-
CAS No:26418-17-7
MF:C9H6FNOS
MW:195.213444232941
CID:242667
PubChem ID:119089035
Update Time:2025-04-19

Ethanone,1-(2-benzothiazolyl)-2-fluoro- Chemical and Physical Properties

Names and Identifiers

    • Ethanone,1-(2-benzothiazolyl)-2-fluoro-
    • Ketone,2-benzothiazolyl fluoromethyl (8CI)
    • 26418-17-7
    • 1-(1,3-Benzothiazol-2-Yl)-2-Fluoroethanone
    • Inchi: 1S/C9H6FNOS/c10-5-7(12)9-11-6-3-1-2-4-8(6)13-9/h1-4H,5H2
    • InChI Key: JGXPERJVBPARPK-UHFFFAOYSA-N
    • SMILES: S1C(C(CF)=O)=NC2C=CC=CC1=2

Computed Properties

  • Exact Mass: 195.01548
  • Monoisotopic Mass: 195.01541315g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 212
  • 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: 2.6
  • Topological Polar Surface Area: 58.2?2

Experimental Properties

  • PSA: 29.96
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