Cas no 62122-13-8 (Benzenesulfonyl chloride, 4-hydroxy-3,5-bis(1-methylethyl)-)

Benzenesulfonyl chloride, 4-hydroxy-3,5-bis(1-methylethyl)- structure
62122-13-8 structure
Product Name:Benzenesulfonyl chloride, 4-hydroxy-3,5-bis(1-methylethyl)-
CAS No:62122-13-8
MF:C12H17ClO3S
MW:276.779581785202
CID:457300
PubChem ID:45156381
Update Time:2025-04-19

Benzenesulfonyl chloride, 4-hydroxy-3,5-bis(1-methylethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonyl chloride, 4-hydroxy-3,5-bis(1-methylethyl)-
    • 4-hydroxy-3,5-di(propan-2-yl)benzenesulfonyl chloride
    • 62122-13-8
    • DTXSID90669509
    • SCHEMBL11529037
    • 4-Hydroxy-3,5-di(propan-2-yl)benzene-1-sulfonyl chloride
    • Inchi: 1S/C12H17ClO3S/c1-7(2)10-5-9(17(13,15)16)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3
    • InChI Key: GDBUGDYIAMHLPL-UHFFFAOYSA-N
    • SMILES: ClS(C1C=C(C(=C(C=1)C(C)C)O)C(C)C)(=O)=O

Computed Properties

  • Exact Mass: 276.05881
  • Monoisotopic Mass: 276.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 327
  • 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: 62.8A^2
  • XLogP3: 3.8

Experimental Properties

  • PSA: 54.37
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