Cas no 146431-33-6 (5-bromo-2-methanesulfonylbenzoic acid)

5-bromo-2-methanesulfonylbenzoic acid structure
146431-33-6 structure
Product Name:5-bromo-2-methanesulfonylbenzoic acid
CAS No:146431-33-6
MF:C8H7BrO4S
MW:279.107780694962
MDL:MFCD23701693
CID:1033120
PubChem ID:598825
Update Time:2025-09-28

5-bromo-2-methanesulfonylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-2-(methylsulfonyl)benzoic acid
    • 5-bromo-2-methylsulfonylbenzoic acid
    • 3-Bromo-6-methylsulfonylbenzoic acid
    • AC1LCC26
    • AK119956
    • KB-244853
    • 5-bromo-2-methanesulfonylbenzoic acid
    • MFCD23701693
    • HUGYEDOXFXCAGW-UHFFFAOYSA-N
    • DB-368346
    • Y11338
    • Benzoic acid, 5-bromo-2-(methylsulfonyl)-
    • 5-Bromo-2-(methylsulfonyl)benzoic acid #
    • EN300-3375659
    • DTXSID80344691
    • AKOS016011022
    • SCHEMBL26580541
    • CS-0360713
    • BS-49748
    • 5-Bromo-2-(methylsulfonyl)benzoicacid
    • 146431-33-6
    • MDL: MFCD23701693
    • Inchi: 1S/C8H7BrO4S/c1-14(12,13)7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)
    • InChI Key: HUGYEDOXFXCAGW-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=C(C(=O)O)C=1)S(C)(=O)=O

Computed Properties

  • Exact Mass: 277.92481
  • Monoisotopic Mass: 277.92484g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 319
  • 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: 79.8?2

Experimental Properties

  • PSA: 71.44

5-bromo-2-methanesulfonylbenzoic acid Pricemore >>

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