Cas no 908600-73-7 (6-fluoro-1H-Indole-5-carboxylic acid)

6-fluoro-1H-Indole-5-carboxylic acid structure
908600-73-7 structure
Product Name:6-fluoro-1H-Indole-5-carboxylic acid
CAS No:908600-73-7
MF:C9H6FNO2
MW:179.147845745087
MDL:MFCD12924426
CID:1011956
PubChem ID:11492033
Update Time:2024-10-26

6-fluoro-1H-Indole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 6-fluoro-1H-Indole-5-carboxylic acid
    • 1H-INDOLE-5-CARBOXYLIC ACID,6-FLUORO
    • 6-Fluoro-1H-indole-5-carboxylic acid (ACI)
    • 6-fluoro-1H-indole-5-carboxylicAcid
    • CS-0060714
    • 908600-73-7
    • 6-Fluoroindole-5-carboxylic Acid
    • SCHEMBL12616230
    • EN300-215307
    • W17101
    • AS-62867
    • DA-01224
    • MDHOVFSMMFAXIY-UHFFFAOYSA-N
    • AKOS023839234
    • MFCD12924426
    • MDL: MFCD12924426
    • Inchi: 1S/C9H6FNO2/c10-7-4-8-5(1-2-11-8)3-6(7)9(12)13/h1-4,11H,(H,12,13)
    • InChI Key: MDHOVFSMMFAXIY-UHFFFAOYSA-N
    • SMILES: O=C(C1C(F)=CC2=C(C=CN2)C=1)O

Computed Properties

  • Exact Mass: 179.03825660g/mol
  • Monoisotopic Mass: 179.03825660g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 222
  • 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: 1.7
  • Topological Polar Surface Area: 53.1?2

6-fluoro-1H-Indole-5-carboxylic acid Pricemore >>

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6-fluoro-1H-Indole-5-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ;  5 min, 25 °C
Reference
In search of simplicity and flexibility: a rational access to twelve fluoroindolecarboxylic acids
Schlosser, Manfred; Ginanneschi, Assunta; Leroux, Frederic, European Journal of Organic Chemistry, 2006, (13), 2956-2969

6-fluoro-1H-Indole-5-carboxylic acid Raw materials

6-fluoro-1H-Indole-5-carboxylic acid Preparation Products

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