Cas no 1204298-47-4 (6-(trifluoromethyl)-2,1-benzisoxazole-3-carboxylic acid)

6-(trifluoromethyl)-2,1-benzisoxazole-3-carboxylic acid structure
1204298-47-4 structure
Product Name:6-(trifluoromethyl)-2,1-benzisoxazole-3-carboxylic acid
CAS No:1204298-47-4
MF:C9H4F3NO3
MW:231.128172874451
MDL:MFCD16653369
CID:5041606
PubChem ID:45496739
Update Time:2025-07-26

6-(trifluoromethyl)-2,1-benzisoxazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 6-(trifluoromethyl)-2,1-benzisoxazole-3-carboxylic acid
    • 6-(trifluoromethyl)-2,1-benzoxazole-3-carboxylic acid
    • MDL: MFCD16653369
    • Inchi: 1S/C9H4F3NO3/c10-9(11,12)4-1-2-5-6(3-4)13-16-7(5)8(14)15/h1-3H,(H,14,15)
    • InChI Key: WILVLFLFYQJSBL-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC2=C(C(=O)O)ON=C2C=1)(F)F

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 294
  • XLogP3: 2.5
  • Topological Polar Surface Area: 63.3

6-(trifluoromethyl)-2,1-benzisoxazole-3-carboxylic acid Pricemore >>

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