Cas no 908600-75-9 (7-fluoro-1H-Indole-6-carboxylic acid)

7-fluoro-1H-Indole-6-carboxylic acid structure
908600-75-9 structure
Product Name:7-fluoro-1H-Indole-6-carboxylic acid
CAS No:908600-75-9
MF:C9H6FNO2
MW:179.147845745087
MDL:MFCD12924423
CID:830178
PubChem ID:11701136
Update Time:2024-10-26

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

Names and Identifiers

    • 7-fluoro-1H-Indole-6-carboxylic acid
    • 1H-INDOLE-6-CARBOXYLIC ACID
    • 1H-INDOLE-6-CARBOXYLIC ACID,7-FLUORO
    • 7-Fluoro-1H-indole-6-carboxylic acid (ACI)
    • CS-0245748
    • DS-16539
    • AKOS015853079
    • MFCD12924423
    • 908600-75-9
    • DB-078827
    • SCHEMBL23538104
    • DTXCID20421612
    • EN300-310463
    • 7-fluoro-1H-indole-6-carboxylicacid
    • SB13657
    • 7-fluoranyl-1H-indole-6-carboxylic acid
    • A843660
    • DTXSID10470795
    • Z1255439921
    • MDL: MFCD12924423
    • Inchi: 1S/C9H6FNO2/c10-7-6(9(12)13)2-1-5-3-4-11-8(5)7/h1-4,11H,(H,12,13)
    • InChI Key: LJUIVYSSKFZMBU-UHFFFAOYSA-N
    • SMILES: O=C(C1C(F)=C2C(C=CN2)=CC=1)O

Computed Properties

  • Exact Mass: 179.03800
  • 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

Experimental Properties

  • Density: 1.51
  • Boiling Point: 411.458°C at 760 mmHg
  • Flash Point: 202.643°C
  • Refractive Index: 1.692
  • PSA: 53.09000
  • LogP: 2.00520

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7-fluoro-1H-Indole-6-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

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

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

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