Cas no 465514-05-0 (3-(4-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride)

3-(4-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride structure
465514-05-0 structure
Product Name:3-(4-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride
CAS No:465514-05-0
MF:C11H7ClFNO2
MW:239.630185365677
MDL:MFCD03407358
CID:841324
PubChem ID:2780711
Update Time:2025-04-19

3-(4-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride Chemical and Physical Properties

Names and Identifiers

    • 3-(4-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride
    • 3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride
    • 3-(4-Fluorophenyl)-5-methyl-4-isoxazolecarbonyl chloride
    • 3-(4-fluoro-phenyl)-5-methyl-isoxazole-4-carboxylic acid chloride
    • 5-methyl-3-(4-fluoro-phenyl)-isoxazole-4-carboxylic acid chloride
    • BP-10331
    • SCHEMBL3068021
    • DTXSID00381700
    • MFCD03407358
    • 465514-05-0
    • QRMOQEHQPOIZGC-UHFFFAOYSA-N
    • MDL: MFCD03407358
    • Inchi: 1S/C11H7ClFNO2/c1-6-9(11(12)15)10(14-16-6)7-2-4-8(13)5-3-7/h2-5H,1H3
    • InChI Key: QRMOQEHQPOIZGC-UHFFFAOYSA-N
    • SMILES: ClC(C1=C(C)ON=C1C1C=CC(=CC=1)F)=O

Computed Properties

  • Exact Mass: 239.01500
  • Monoisotopic Mass: 239.0149343g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 269
  • 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: 3
  • Topological Polar Surface Area: 43.1?2

Experimental Properties

  • Melting Point: 51-52°C
  • PSA: 43.10000
  • LogP: 3.16810

3-(4-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride Security Information

  • Hazardous Material transportation number:UN 3261
  • Hazard Category Code: 34
  • Safety Instruction: S26-S36/37/39-S45
  • Hazardous Material Identification: C
  • Risk Phrases:R34

3-(4-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride Pricemore >>

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