Cas no 1186663-47-7 (2-fluoro-3-methanesulfonylbenzoic acid)

2-fluoro-3-methanesulfonylbenzoic acid structure
1186663-47-7 structure
Product Name:2-fluoro-3-methanesulfonylbenzoic acid
CAS No:1186663-47-7
MF:C8H7FO4S
MW:218.202184915543
MDL:MFCD12828705
CID:1004559
PubChem ID:53429576
Update Time:2025-04-20

2-fluoro-3-methanesulfonylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Fluoro-3-(methylsulfonyl)benzoic acid
    • 1-benzyl-5-(hydroxymethyl)piperidin-2-one
    • 2-fluoro-3-methanesulfonylbenzoic acid
    • 2-Fluoro-3-(methanesulfonyl)benzoic acid
    • 2-fluoro-3-methylsulfonylbenzoic acid
    • EN300-8658596
    • DTXSID50700184
    • CS-0263395
    • 2-Fluoro-3-(methylsulfonyl)benzoicAcid
    • AKOS022183575
    • 1186663-47-7
    • MDL: MFCD12828705
    • Inchi: 1S/C8H7FO4S/c1-14(12,13)6-4-2-3-5(7(6)9)8(10)11/h2-4H,1H3,(H,10,11)
    • InChI Key: UCGSFFXVPVKTQV-UHFFFAOYSA-N
    • SMILES: S(C)(C1C=CC=C(C(=O)O)C=1F)(=O)=O

Computed Properties

  • Exact Mass: 218.00490804g/mol
  • Monoisotopic Mass: 218.00490804g/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: 0.8
  • Topological Polar Surface Area: 79.8?2

2-fluoro-3-methanesulfonylbenzoic acid Pricemore >>

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