Cas no 887979-15-9 (5-(3-bromophenyl)isoxazole-3-carboxylic acid)

5-(3-bromophenyl)isoxazole-3-carboxylic acid structure
887979-15-9 structure
Product Name:5-(3-bromophenyl)isoxazole-3-carboxylic acid
CAS No:887979-15-9
MF:C10H6BrNO3
MW:268.063541889191
MDL:MFCD06410006
CID:871312
PubChem ID:24730066
Update Time:2025-04-19

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

Names and Identifiers

    • 5-(3-bromophenyl)-1,2-oxazole-3-carboxylic acid
    • 5-(3-BROMOPHENYL)ISOXAZOLE-3-CARBOXYLIC ACID
    • F1967-0243
    • SY014452
    • 5-(3-Bromophenyl)-isoxazole-3-carboxylic acid
    • AB23845
    • MFCD06410006
    • EN300-237907
    • DTXSID60647051
    • 887979-15-9
    • AKOS002658298
    • 5-(3-bromophenyl) isoxazole-3-carboxylic acid
    • G78737
    • 5-(3-bromophenyl)isoxazole-3-carboxylic acid
    • MDL： MFCD06410006
    • Inchi： 1S/C10H6BrNO3/c11-7-3-1-2-6(4-7)9-5-8(10(13)14)12-15-9/h1-5H,(H,13,14)
    • InChI Key： HFKRALPUNLGDQX-UHFFFAOYSA-N
    • SMILES： BrC1=CC=CC(=C1)C1=CC(C(=O)O)=NO1

Computed Properties

  • Exact Mass: 266.95300
  • Monoisotopic Mass: 266.95311g/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: 2.6
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • PSA: 63.33000
  • LogP: 2.80230

5-(3-bromophenyl)isoxazole-3-carboxylic acid Pricemore >>

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