Cas no 794515-85-8 (6-fluoroisoquinoline-3-carboxylic acid)

6-fluoroisoquinoline-3-carboxylic acid structure
794515-85-8 structure
Product Name:6-fluoroisoquinoline-3-carboxylic acid
CAS No:794515-85-8
MF:C10H6FNO2
MW:191.158545970917
CID:3166705
PubChem ID:68549725
Update Time:2025-04-21

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

Names and Identifiers

    • 6-fluoroisoquinoline-3-carboxylic acid
    • 850-818-4
    • LOTSIKAINFRFHY-UHFFFAOYSA-N
    • 6-Fluoro-isoquinoline-3-carboxylic acid
    • EN300-398294
    • CS-0455745
    • 794515-85-8
    • CHEMHERE CHEM116610
    • Z3241995413
    • SCHEMBL3207019
    • Inchi: 1S/C10H6FNO2/c11-8-2-1-6-5-12-9(10(13)14)4-7(6)3-8/h1-5H,(H,13,14)
    • InChI Key: LOTSIKAINFRFHY-UHFFFAOYSA-N
    • SMILES: FC1C=CC2C=NC(C(=O)O)=CC=2C=1

Computed Properties

  • Exact Mass: 191.038
  • Monoisotopic Mass: 191.038
  • 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
  • Topological Polar Surface Area: 50.2A^2
  • XLogP3: 2.1

6-fluoroisoquinoline-3-carboxylic acid Pricemore >>

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