Cas no 64820-21-9 (Ethanol, 2-(2-chloroethoxy)-, 4-methylbenzenesulfonate)

Ethanol, 2-(2-chloroethoxy)-, 4-methylbenzenesulfonate structure
64820-21-9 structure
Product Name:Ethanol, 2-(2-chloroethoxy)-, 4-methylbenzenesulfonate
CAS No:64820-21-9
MF:C11H17ClO5S
MW:296.767681837082
CID:415557
PubChem ID:71378572
Update Time:2025-04-19

Ethanol, 2-(2-chloroethoxy)-, 4-methylbenzenesulfonate Chemical and Physical Properties

Names and Identifiers

    • Ethanol, 2-(2-chloroethoxy)-, 4-methylbenzenesulfonate
    • 2-(2-chloroethoxy)ethanol,4-methylbenzenesulfonic acid
    • 64820-21-9
    • 2-(2-chloroethoxy)ethanol;4-methylbenzenesulfonic acid
    • AKOS028110468
    • 2-(2-chloroethoxy)ethyl p-toluenesulfonate
    • AT17933
    • 4-Methylbenzene-1-sulfonic acid--2-(2-chloroethoxy)ethan-1-ol (1/1)
    • DTXSID70801182
    • Inchi: 1S/C7H8O3S.C4H9ClO2/c1-6-2-4-7(5-3-6)11(8,9)10;5-1-3-7-4-2-6/h2-5H,1H3,(H,8,9,10);6H,1-4H2
    • InChI Key: AIZSRWGSUHUXIE-UHFFFAOYSA-N
    • SMILES: ClCCOCCO.S(C1C=CC(C)=CC=1)(=O)(=O)O

Computed Properties

  • Exact Mass: 296.0485225g/mol
  • Monoisotopic Mass: 296.0485225g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 239
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 92.2?2

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