Cas no 61152-05-4 (4-Oxazolecarbonyl chloride, 2-(3-fluorophenyl)-5-methyl-)

4-Oxazolecarbonyl chloride, 2-(3-fluorophenyl)-5-methyl- structure
61152-05-4 structure
Product Name:4-Oxazolecarbonyl chloride, 2-(3-fluorophenyl)-5-methyl-
CAS No:61152-05-4
MF:C11H7ClFNO2
MW:239.630185365677
CID:490431
PubChem ID:12282203
Update Time:2025-04-19

4-Oxazolecarbonyl chloride, 2-(3-fluorophenyl)-5-methyl- Chemical and Physical Properties

Names and Identifiers

    • 4-Oxazolecarbonyl chloride, 2-(3-fluorophenyl)-5-methyl-
    • 2-(3-fluorophenyl)-5-methyl-1,3-oxazole-4-carbonyl chloride
    • 2-(3-Fluorophenyl)-5-methyloxazole-4-carbonyl chloride
    • DTXSID30484076
    • 61152-05-4
    • Inchi: 1S/C11H7ClFNO2/c1-6-9(10(12)15)14-11(16-6)7-3-2-4-8(13)5-7/h2-5H,1H3
    • InChI Key: PIOWUBLHMSGKTP-UHFFFAOYSA-N
    • SMILES: ClC(C1=C(C)OC(C2C=CC=C(C=2)F)=N1)=O

Computed Properties

  • Exact Mass: 239.01501
  • 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: 277
  • 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: 3.3
  • Topological Polar Surface Area: 43.1?2

Experimental Properties

  • PSA: 43.1
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