Cas no 16381-46-7 (5-Fluoro-3-methyl-1H-indole-2-carboxylic acid)

5-Fluoro-3-methyl-1H-indole-2-carboxylic acid structure
16381-46-7 structure
Product Name:5-Fluoro-3-methyl-1H-indole-2-carboxylic acid
CAS No:16381-46-7
MF:C10H8FNO2
MW:193.174426078796
MDL:MFCD06011078
CID:892541
PubChem ID:1132967
Update Time:2025-04-19

5-Fluoro-3-methyl-1H-indole-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Fluoro-3-methyl-1H-indole-2-carboxylic acid
    • 5-fluoro-3-methyl-1H-indole-2-carboxylic acid(SALTDATA: FREE)
    • 5-Fluoro-3-methyl-2-indolic acid
    • 5-fluoro-3-methylindole-2-carboxylic acid
    • AC1LMMX8
    • CTK4D1654
    • MolPort-002-017-508
    • ST080947
    • SureCN2730323
    • TIMTEC-BB SBB010883
    • STK501547
    • EN300-100364
    • AS-42833
    • MFCD06011078
    • 5-fluoro-3-methyl-indole-2-carboxylic acid
    • SCHEMBL2730323
    • ALBB-005029
    • CS-0307905
    • Z1198166307
    • DTXSID20360638
    • AKOS000321424
    • DTXCID60311689
    • XNWVWEWWPNKNJX-UHFFFAOYSA-N
    • 1H-Indole-2-carboxylic acid, 5-fluoro-3-methyl-
    • 16381-46-7
    • MDL: MFCD06011078
    • Inchi: 1S/C10H8FNO2/c1-5-7-4-6(11)2-3-8(7)12-9(5)10(13)14/h2-4,12H,1H3,(H,13,14)
    • InChI Key: XNWVWEWWPNKNJX-UHFFFAOYSA-N
    • SMILES: FC1C=CC2=C(C=1)C(C)=C(C(=O)O)N2

Computed Properties

  • Exact Mass: 193.05394
  • Monoisotopic Mass: 193.05390666g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 246
  • 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: 2.4
  • Topological Polar Surface Area: 53.1?2

Experimental Properties

  • PSA: 53.09

5-Fluoro-3-methyl-1H-indole-2-carboxylic acid Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

5-Fluoro-3-methyl-1H-indole-2-carboxylic acid Pricemore >>

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