Cas no 651026-98-1 (3-Bromo-2,4-difluorobenzoic acid)

3-Bromo-2,4-difluorobenzoic acid structure
651026-98-1 structure
Product Name:3-Bromo-2,4-difluorobenzoic acid
CAS No:651026-98-1
MF:C7H3BrF2O2
MW:236.998328447342
MDL:MFCD09261257
CID:407716
PubChem ID:11149078
Update Time:2025-04-19

3-Bromo-2,4-difluorobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3-bromo-2,4-difluoro-
    • 3-BROMO-2,4-DIFLUOROBENZOIC ACID
    • 3-Bromo-2,4-difluoro-benzoic acid
    • LPHSBCGWEINIHT-UHFFFAOYSA-N
    • DTXSID50456972
    • EN300-121462
    • 3-Bromo-2,4-difluorobenzoicacid
    • SCHEMBL318609
    • CS-0037194
    • AKOS023125777
    • SY104509
    • 651026-98-1
    • MFCD09261257
    • 3-Bromo-2,4-difluorobenzoic acid
    • MDL： MFCD09261257
    • Inchi： 1S/C7H3BrF2O2/c8-5-4(9)2-1-3(6(5)10)7(11)12/h1-2H,(H,11,12)
    • InChI Key： LPHSBCGWEINIHT-UHFFFAOYSA-N
    • SMILES： BrC1=C(C=CC(C(=O)O)=C1F)F

Computed Properties

  • Exact Mass: 235.92839
  • Monoisotopic Mass: 235.92845g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • 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
  • Topological Polar Surface Area: 37.3
  • XLogP3: 2.3

Experimental Properties

  • PSA: 37.3

3-Bromo-2,4-difluorobenzoic acid Pricemore >>

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