Cas no 1289022-70-3 (6-bromo-3-formylpicolinic acid)

6-bromo-3-formylpicolinic acid structure
1289022-70-3 structure
Product Name:6-bromo-3-formylpicolinic acid
CAS No:1289022-70-3
MF:C7H4BrNO3
MW:230.015561103821
CID:2101728
Update Time:2023-11-19

6-bromo-3-formylpicolinic acid Chemical and Physical Properties

Names and Identifiers

    • 6-bromo-3-formylpicolinic acid
    • CID 91757586
    • Inchi: 1S/C7H4BrNO3/c8-5-2-1-4(3-10)6(9-5)7(11)12/h1-3H,(H,11,12)
    • InChI Key: IEHPCIUSHZKXMO-UHFFFAOYSA-N
    • SMILES: BrC1=CC=C(C=O)C(C(=O)O)=N1

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 197
  • Topological Polar Surface Area: 67.3
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