Cas no 1204296-65-0 (6-bromo-2,1-benzisoxazole-3-carboxylic acid)

6-bromo-2,1-benzisoxazole-3-carboxylic acid structure
1204296-65-0 structure
Product Name:6-bromo-2,1-benzisoxazole-3-carboxylic acid
CAS No:1204296-65-0
MF:C8H4BrNO3
MW:242.026261329651
MDL:MFCD09027553
CID:4770109
PubChem ID:45496741
Update Time:2023-11-20

6-bromo-2,1-benzisoxazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 6-bromo-2,1-benzisoxazole-3-carboxylic acid
    • 6-bromo-2,1-benzoxazole-3-carboxylic acid
    • 6-bromobenzo[c]isoxazole-3-carboxylic acid
    • MDL: MFCD09027553
    • Inchi: 1S/C8H4BrNO3/c9-4-1-2-5-6(3-4)10-13-7(5)8(11)12/h1-3H,(H,11,12)
    • InChI Key: OVTUMTXURUVLTH-UHFFFAOYSA-N
    • SMILES: BrC1C=CC2=C(C(=O)O)ON=C2C=1

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 223
  • XLogP3: 2.3
  • Topological Polar Surface Area: 63.3

6-bromo-2,1-benzisoxazole-3-carboxylic acid Security Information

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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