Cas no 7064-34-8 (5-(3-Chlorophenyl)isoxazole)

5-(3-Chlorophenyl)isoxazole structure
5-(3-Chlorophenyl)isoxazole structure
Product Name:5-(3-Chlorophenyl)isoxazole
CAS No:7064-34-8
MF:C9H6ClNO
MW:179.603041172028
MDL:MFCD03232871
CID:574809
PubChem ID:53216896
Update Time:2025-09-22

5-(3-Chlorophenyl)isoxazole Chemical and Physical Properties

Names and Identifiers

    • 5-(3-Chlorophenyl)isoxazole
    • 5-[(3-cyclopentyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-6-(3,5-dimethylpiperidin-1-yl)-4-methyl-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile
    • 5-(3-chlorophenyl)-1,2-oxazole
    • Isoxazole,5-(3-chlorophenyl)-
    • BS-23294
    • MFCD03232871
    • DTXSID80682025
    • 7064-34-8
    • CS-0207874
    • AKOS006345030
    • A866580
    • SCHEMBL9188823
    • DB-358581
    • MDL: MFCD03232871
    • Inchi: 1S/C9H6ClNO/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H
    • InChI Key: CFYQBZOVTJXQDQ-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(=C1)C1=CC=NO1

Computed Properties

  • Exact Mass: 179.01388
  • Monoisotopic Mass: 179.0137915g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 154
  • 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: 2.7
  • Topological Polar Surface Area: 26?2

Experimental Properties

  • PSA: 26.03

5-(3-Chlorophenyl)isoxazole Pricemore >>

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