Cas no 794515-88-1 (6-fluoroisoquinoline-3-carboxylic acid hydrochloride)

6-fluoroisoquinoline-3-carboxylic acid hydrochloride structure
794515-88-1 structure
Product Name:6-fluoroisoquinoline-3-carboxylic acid hydrochloride
CAS No:794515-88-1
MF:C10H7ClFNO2
MW:227.619485139847
MDL:MFCD30527907
CID:3295855
PubChem ID:68549802
Update Time:2025-04-21

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

Names and Identifiers

    • 3-ISOQUINOLINECARBOXYLIC ACID, 6-FLUORO-, HYDROCHLORIDE
    • 6-fluoroisoquinoline-3-carboxylic acid hydrochloride
    • 6-fluoroisoquinoline-3-carboxylic acid;hydrochloride
    • 794515-88-1
    • EN300-23888341
    • 6-Fluoro-isoquinoline-3-carboxylic acid hydrochloride
    • SCHEMBL3207242
    • UGB51588
    • YLOUGAGACHSQLQ-UHFFFAOYSA-N
    • 6-Fluoroisoquinoline-3-carboxylicacidhydrochloride
    • MDL: MFCD30527907
    • Inchi: 1S/C10H6FNO2.ClH/c11-8-2-1-6-5-12-9(10(13)14)4-7(6)3-8;/h1-5H,(H,13,14);1H
    • InChI Key: YLOUGAGACHSQLQ-UHFFFAOYSA-N
    • SMILES: Cl.FC1C=CC2C=NC(C(=O)O)=CC=2C=1

Computed Properties

  • Exact Mass: 227.0149343Da
  • Monoisotopic Mass: 227.0149343Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 234
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 50.2?2

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