Cas no 618383-48-5 (3-(4-Fluorophenyl)isoxazole-5-carboxylic acid)

3-(4-Fluorophenyl)isoxazole-5-carboxylic acid structure
618383-48-5 structure
Product Name:3-(4-Fluorophenyl)isoxazole-5-carboxylic acid
CAS No:618383-48-5
MF:C10H6FNO3
MW:207.157946109772
MDL:MFCD05150725
CID:502257
PubChem ID:1096405
Update Time:2025-04-19

3-(4-Fluorophenyl)isoxazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(4-Fluorophenyl)isoxazole-5-carboxylic acid
    • 3-(4-FLUORO-PHENYL)-ISOXAZOLE-5-CARBOXYLIC ACID
    • 5-Isoxazolecarboxylicacid, 3-(4-fluorophenyl)-
    • 3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid
    • SCHEMBL3101558
    • BBL037377
    • 3-(4-fluorophenyl)isoxazole-5-carboxylicacid
    • RAPIFMAMJGZVMX-UHFFFAOYSA-N
    • DB-030986
    • EN300-92891
    • D84152
    • DTXSID50360267
    • 3-(4-fluorophenyl)-5-isoxazole-carboxylic acid
    • 618383-48-5
    • Z369737780
    • MFCD05150725
    • 5-Isoxazolecarboxylic acid, 3-(4-fluorophenyl)-
    • ALBB-009878
    • CS-0029798
    • STK341642
    • 3-(4-fluorophenyl)-isoxazole-5-carboxylic acid
    • VS-14110
    • 3-(4-fluorophenyl)-5-isoxazolecarboxylic acid
    • AKOS000314535
    • MDL: MFCD05150725
    • Inchi: 1S/C10H6FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-5H,(H,13,14)
    • InChI Key: RAPIFMAMJGZVMX-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)C1C=C(C(=O)O)ON=1

Computed Properties

  • Exact Mass: 207.03300
  • Monoisotopic Mass: 207.033
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 241
  • 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
  • Topological Polar Surface Area: 63.3A^2
  • XLogP3: 2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 428.8±35.0 °C at 760 mmHg
  • Flash Point: 213.1±25.9 °C
  • Refractive Index: 1.566
  • PSA: 63.33000
  • LogP: 2.17890
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

3-(4-Fluorophenyl)isoxazole-5-carboxylic acid Security Information

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