Cas no 794515-89-2 (8-fluoroisoquinoline-3-carboxylic acid)

8-fluoroisoquinoline-3-carboxylic acid structure
794515-89-2 structure
Product Name:8-fluoroisoquinoline-3-carboxylic acid
CAS No:794515-89-2
MF:C10H6FNO2
MW:191.158545970917
CID:3166707
PubChem ID:68545393
Update Time:2025-09-19

8-fluoroisoquinoline-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 8-fluoroisoquinoline-3-carboxylic acid
    • 794515-89-2
    • 8-Fluoroisoquinoline-3-carboxylicacid
    • SGUQKOOPPLSFCJ-UHFFFAOYSA-N
    • 8-fluoro-isoquinoline-3-carboxylic acid
    • SCHEMBL3195436
    • EN300-398298
    • CS-0455845
    • Inchi： 1S/C10H6FNO2/c11-8-3-1-2-6-4-9(10(13)14)12-5-7(6)8/h1-5H,(H,13,14)
    • InChI Key： SGUQKOOPPLSFCJ-UHFFFAOYSA-N
    • SMILES： FC1=CC=CC2C=C(C(=O)O)N=CC=21

Computed Properties

  • Exact Mass: 191.03825660Da
  • Monoisotopic Mass: 191.03825660Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 234
  • 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: 50.2?2

8-fluoroisoquinoline-3-carboxylic acid Pricemore >>

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