Cas no 72744-57-1 (6-bromo-1,3-benzodioxole-4-carboxylic acid)

6-bromo-1,3-benzodioxole-4-carboxylic acid structure
72744-57-1 structure
Product Name:6-bromo-1,3-benzodioxole-4-carboxylic acid
CAS No:72744-57-1
MF:C8H5BrO4
MW:245.026901960373
MDL:MFCD23701720
CID:1033042
PubChem ID:12514098
Update Time:2025-04-20

6-bromo-1,3-benzodioxole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 6-Bromobenzo[d][1,3]dioxole-4-carboxylic acid
    • 6-Bromo-1,3-benzodioxole-4-carboxylic acid
    • SCHEMBL4492453
    • F93452
    • 72744-57-1
    • Z1681368056
    • 6-Bromo-2H-1,3-benzodioxole-4-carboxylic acid
    • DTXSID70500986
    • AKOS016010735
    • 6-Bromobenzo[d][1,3]dioxole-4-carboxylicacid
    • 6-bromo-1,3-dioxaindane-4-carboxylic acid
    • CS-0372617
    • A934744
    • EN300-804988
    • DB-369214
    • 1,3-Benzodioxole-4-carboxylic acid, 6-bromo-
    • 6-bromo-1,3-benzodioxole-4-carboxylic acid
    • MDL: MFCD23701720
    • Inchi: 1S/C8H5BrO4/c9-4-1-5(8(10)11)7-6(2-4)12-3-13-7/h1-2H,3H2,(H,10,11)
    • InChI Key: QLRIAHYAWFMMSW-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C(=O)O)C2=C(C=1)OCO2

Computed Properties

  • Exact Mass: 243.93705
  • Monoisotopic Mass: 243.93712g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 220
  • 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
  • Topological Polar Surface Area: 55.8?2

Experimental Properties

  • PSA: 55.76

6-bromo-1,3-benzodioxole-4-carboxylic acid Pricemore >>

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