Cas no 1427416-33-8 (5-Bromo-4-fluoro-2-methylbenzoic acid)

5-Bromo-4-fluoro-2-methylbenzoic acid structure
1427416-33-8 structure
Product Name:5-Bromo-4-fluoro-2-methylbenzoic acid
CAS No:1427416-33-8
MF:C8H6BrFO2
MW:233.034445285797
MDL:MFCD23712112
CID:4599068
PubChem ID:75488625
Update Time:2024-11-02

5-Bromo-4-fluoro-2-methylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-4-fluoro-2-methylbenzoic acid
    • 5-Bromo-4-fluoro-2-methyl-benzoic acid
    • 5-Bromo-4-fluoro-2-methylbenzoicacid
    • AS-41136
    • 1427416-33-8
    • EN300-192581
    • CS-0112810
    • MFCD23712112
    • AKOS023787876
    • DB-206925
    • SCHEMBL17244916
    • MDL： MFCD23712112
    • Inchi： 1S/C8H6BrFO2/c1-4-2-7(10)6(9)3-5(4)8(11)12/h2-3H,1H3,(H,11,12)
    • InChI Key： OFPHIASYPPAEEH-UHFFFAOYSA-N
    • SMILES： BrC1C(=CC(C)=C(C(=O)O)C=1)F

Computed Properties

  • Exact Mass: 231.95352g/mol
  • Monoisotopic Mass: 231.95352g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 186
  • 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: 2.6
  • Topological Polar Surface Area: 37.3

5-Bromo-4-fluoro-2-methylbenzoic acid Pricemore >>

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