Cas no 55370-29-1 (6-bromo-Thieno[3,4-d]-1,3-dioxole-4-carboxylic acid)

6-bromo-Thieno[3,4-d]-1,3-dioxole-4-carboxylic acid structure
55370-29-1 structure
Product Name:6-bromo-Thieno[3,4-d]-1,3-dioxole-4-carboxylic acid
CAS No:55370-29-1
MF:C6H3BrO4S
MW:251.054620027542
CID:2145526
PubChem ID:12197948
Update Time:2025-04-21

6-bromo-Thieno[3,4-d]-1,3-dioxole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 6-bromo-Thieno[3,4-d]-1,3-dioxole-4-carboxylic acid
    • DB-318083
    • 3,4-Methylenedioxy-2-bromo-5-carboxy thiophene
    • RWMUCWSCZCYSIU-UHFFFAOYSA-N
    • 55370-29-1
    • SCHEMBL8538661
    • Inchi: 1S/C6H3BrO4S/c7-5-3-2(10-1-11-3)4(12-5)6(8)9/h1H2,(H,8,9)
    • InChI Key: RWMUCWSCZCYSIU-UHFFFAOYSA-N
    • SMILES: BrC1=C2C(=C(C(=O)O)S1)OCO2

Computed Properties

  • Exact Mass: 249.89354Da
  • Monoisotopic Mass: 249.89354Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 212
  • 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: 2.3
  • Topological Polar Surface Area: 84?2
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