Cas no 842973-74-4 (3-(2-Fluorophenyl)isoxazole-5-carboxylic acid)

3-(2-Fluorophenyl)isoxazole-5-carboxylic acid structure
842973-74-4 structure
Product Name:3-(2-Fluorophenyl)isoxazole-5-carboxylic acid
CAS No:842973-74-4
MF:C10H6FNO3
MW:207.157946109772
MDL:MFCD06011108
CID:1004657
PubChem ID:3160255
Update Time:2025-09-25

3-(2-Fluorophenyl)isoxazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(2-Fluorophenyl)isoxazole-5-carboxylic acid
    • 3-(2-Fluoro-phenyl)-isoxazole-5-carboxylic acid
    • 3-(2-fluorophenyl)-isoxazole-5-carboxylic acid
    • SR-01000325084-1
    • NCGC00319408-01
    • MFCD06011108
    • 3-(2-fluorophenyl)-1,2-oxazole-5-carboxylic acid
    • SR-01000325084
    • EN300-92834
    • 3-(2-fluoro-phenyl)-isoxazole-5-carboxylic acid, AldrichCPR
    • SCHEMBL4277391
    • LS-03313
    • 3-(2-Fluorophenyl)isoxazole-5-carboxylicacid
    • AKOS000303340
    • 842973-74-4
    • A923276
    • Z369737534
    • BNNODLZYXWQEES-UHFFFAOYSA-N
    • AB01315789-02
    • 3-(2-FLUOROPHENYL)-5-ISOXAZOLECARBOXYLIC ACID
    • DTXSID80390274
    • G19816
    • STK341641
    • BBL039450
    • ALBB-009883
    • 5-isoxazolecarboxylic acid, 3-(2-fluorophenyl)-
    • MDL: MFCD06011108
    • Inchi: 1S/C10H6FNO3/c11-7-4-2-1-3-6(7)8-5-9(10(13)14)15-12-8/h1-5H,(H,13,14)
    • InChI Key: BNNODLZYXWQEES-UHFFFAOYSA-N
    • SMILES: FC1C=CC=CC=1C1C=C(C(=O)O)ON=1

Computed Properties

  • Exact Mass: 207.03317122g/mol
  • Monoisotopic Mass: 207.03317122g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 249
  • 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
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 421.5±35.0 °C at 760 mmHg
  • Flash Point: 208.7±25.9 °C
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

3-(2-Fluorophenyl)isoxazole-5-carboxylic acid Security Information

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