Cas no 1016500-29-0 (4-Methoxy-2,3,5-trimethylbenzene-1-sulfonyl chloride)

4-Methoxy-2,3,5-trimethylbenzene-1-sulfonyl chloride structure
1016500-29-0 structure
Product Name:4-Methoxy-2,3,5-trimethylbenzene-1-sulfonyl chloride
CAS No:1016500-29-0
MF:C10H13ClO3S
MW:248.726421117783
CID:1088271
PubChem ID:20118715
Update Time:2025-04-20

4-Methoxy-2,3,5-trimethylbenzene-1-sulfonyl chloride Chemical and Physical Properties

Names and Identifiers

    • 4-Methoxy-2,3,5-trimethylbenzene-1-sulfonyl chloride
    • 4-Methoxy-2,3,5-trimethylbenzenesulfonyl chloride
    • 4-methoxy-2,3,5-trimethylbenzenesulfonyl chloride(SALTDATA: FREE)
    • 1016500-29-0
    • SCHEMBL1038076
    • HJTXBIBJKUBWEQ-UHFFFAOYSA-N
    • AKOS000160004
    • MDL: MFCD09813955
    • Inchi: 1S/C10H13ClO3S/c1-6-5-9(15(11,12)13)7(2)8(3)10(6)14-4/h5H,1-4H3
    • InChI Key: HJTXBIBJKUBWEQ-UHFFFAOYSA-N
    • SMILES: ClS(C1=CC(C)=C(C(C)=C1C)OC)(=O)=O

Computed Properties

  • Exact Mass: 248.0273931g/mol
  • Monoisotopic Mass: 248.0273931g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 309
  • 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: 3
  • Topological Polar Surface Area: 51.8?2
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