Cas no 2172155-85-8 (2-(fluorosulfonyl)-6-methylpyrimidine-4-carboxylic acid)

2-(fluorosulfonyl)-6-methylpyrimidine-4-carboxylic acid structure
2172155-85-8 structure
Product Name:2-(fluorosulfonyl)-6-methylpyrimidine-4-carboxylic acid
CAS No:2172155-85-8
MF:C6H5FN2O4S
MW:220.178303480148
CID:6400790
PubChem ID:165590280
Update Time:2023-12-29

2-(fluorosulfonyl)-6-methylpyrimidine-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(fluorosulfonyl)-6-methylpyrimidine-4-carboxylic acid
    • EN300-1591604
    • 2172155-85-8
    • Inchi: 1S/C6H5FN2O4S/c1-3-2-4(5(10)11)9-6(8-3)14(7,12)13/h2H,1H3,(H,10,11)
    • InChI Key: XTAKFWREDFDHBA-UHFFFAOYSA-N
    • SMILES: S(C1=NC(C(=O)O)=CC(C)=N1)(=O)(=O)F

Computed Properties

  • Exact Mass: 219.99540598g/mol
  • Monoisotopic Mass: 219.99540598g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 325
  • 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: 0.6
  • Topological Polar Surface Area: 106?2

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