Cas no 108797-28-0 (Ethyl 5-fluoro-1-methylindole-2-carboxylate)

Ethyl 5-fluoro-1-methylindole-2-carboxylate structure
108797-28-0 structure
Product Name:Ethyl 5-fluoro-1-methylindole-2-carboxylate
CAS No:108797-28-0
MF:C12H12FNO2
MW:221.227586746216
CID:1186939
PubChem ID:10775338
Update Time:2025-04-20

Ethyl 5-fluoro-1-methylindole-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-fluoro-1-methylindole-2-carboxylate
    • ethyl 5-fluoro-1-methyl-1H-indole-2-carboxylate
    • 1H-Indole-2-carboxylic acid, 5-fluoro-1-methyl-, ethyl ester
    • DTXSID40444747
    • N17082
    • DA-33759
    • SCHEMBL2281043
    • QIZYMGRKSHRZEY-UHFFFAOYSA-N
    • 108797-28-0
    • Inchi: 1S/C12H12FNO2/c1-3-16-12(15)11-7-8-6-9(13)4-5-10(8)14(11)2/h4-7H,3H2,1-2H3
    • InChI Key: QIZYMGRKSHRZEY-UHFFFAOYSA-N
    • SMILES: FC1C=CC2=C(C=1)C=C(C(=O)OCC)N2C

Computed Properties

  • Exact Mass: 221.08526
  • Monoisotopic Mass: 221.08520679g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 272
  • 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: 2.7
  • Topological Polar Surface Area: 31.2?2

Experimental Properties

  • PSA: 31.23
  • LogP: 2.49410
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