Cas no 1126636-69-8 (5-Isoxazolecarboxylic acid, 3-(5-bromo-2-fluorophenyl)-)

5-Isoxazolecarboxylic acid, 3-(5-bromo-2-fluorophenyl)- structure
1126636-69-8 structure
Product Name:5-Isoxazolecarboxylic acid, 3-(5-bromo-2-fluorophenyl)-
CAS No:1126636-69-8
MF:C10H5BrFNO3
MW:286.054005384445
CID:5250289
Update Time:2023-08-26

5-Isoxazolecarboxylic acid, 3-(5-bromo-2-fluorophenyl)- Chemical and Physical Properties

Names and Identifiers

    • 3-(5-Bromo-2-fluorophenyl)isoxazole-5-carboxylic acid
    • 3-(5-bromo-2-fluorophenyl)-1,2-oxazole-5-carboxylic acid
    • 5-Isoxazolecarboxylic acid, 3-(5-bromo-2-fluorophenyl)-
    • Inchi: 1S/C10H5BrFNO3/c11-5-1-2-7(12)6(3-5)8-4-9(10(14)15)16-13-8/h1-4H,(H,14,15)
    • InChI Key: FWTMIWNLVWSKMI-UHFFFAOYSA-N
    • SMILES: BrC1=CC=C(C(=C1)C1C=C(C(=O)O)ON=1)F

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 279
  • XLogP3: 2.7
  • Topological Polar Surface Area: 63.3

5-Isoxazolecarboxylic acid, 3-(5-bromo-2-fluorophenyl)- Pricemore >>

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