Cas no 1781641-60-8 (6-Bromo-2,1-benzoxazole-3-carbaldehyde)

6-Bromo-2,1-benzoxazole-3-carbaldehyde structure
1781641-60-8 structure
Product Name:6-Bromo-2,1-benzoxazole-3-carbaldehyde
CAS No:1781641-60-8
MF:C8H4BrNO2
MW:226.026861190796
CID:5736462
PubChem ID:84690286
Update Time:2023-11-10

6-Bromo-2,1-benzoxazole-3-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • EN300-1124158
    • 6-Bromo-2,1-benzoxazole-3-carbaldehyde
    • 1781641-60-8
    • 2,1-Benzisoxazole-3-carboxaldehyde, 6-bromo-
    • Inchi: 1S/C8H4BrNO2/c9-5-1-2-6-7(3-5)10-12-8(6)4-11/h1-4H
    • InChI Key: SIZAFZAVYLLEHP-UHFFFAOYSA-N
    • SMILES: BrC1C=CC2=C(C=O)ON=C2C=1

Computed Properties

  • Exact Mass: 224.94254g/mol
  • Monoisotopic Mass: 224.94254g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 188
  • 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: 2.2
  • Topological Polar Surface Area: 43.1?2

Experimental Properties

  • Density: 1.773±0.06 g/cm3(Predicted)
  • Boiling Point: 363.9±22.0 °C(Predicted)
  • pka: -8.33±0.30(Predicted)

6-Bromo-2,1-benzoxazole-3-carbaldehyde Pricemore >>

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