Cas no 1261582-58-4 (3-cyano-4-methylbenzene-1-sulfonyl chloride)

3-cyano-4-methylbenzene-1-sulfonyl chloride structure
1261582-58-4 structure
Product Name:3-cyano-4-methylbenzene-1-sulfonyl chloride
CAS No:1261582-58-4
MF:C8H6ClNO2S
MW:215.656739711761
MDL:MFCD18394320
CID:1222966
PubChem ID:55279471
Update Time:2025-04-20

3-cyano-4-methylbenzene-1-sulfonyl chloride Chemical and Physical Properties

Names and Identifiers

    • 3-cyano-4-methylbenzenesulfonyl Chloride
    • CS-0443729
    • AS-41029
    • SY128204
    • 3-Cyano-4-methylbenzene-1-sulfonyl chloride
    • AKOS006333726
    • EN300-1611792
    • MFCD18394320
    • 3-Cyano-4-methylbenzenesulfonylchloride
    • 1261582-58-4
    • SCHEMBL25366711
    • 3-cyano-4-methylbenzene-1-sulfonyl chloride
    • MDL: MFCD18394320
    • Inchi: 1S/C8H6ClNO2S/c1-6-2-3-8(13(9,11)12)4-7(6)5-10/h2-4H,1H3
    • InChI Key: XEKZJZSKGFKEJZ-UHFFFAOYSA-N
    • SMILES: ClS(C1C=CC(C)=C(C#N)C=1)(=O)=O

Computed Properties

  • Exact Mass: 214.9807773g/mol
  • Monoisotopic Mass: 214.9807773g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 324
  • 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: 2
  • Topological Polar Surface Area: 66.3?2

3-cyano-4-methylbenzene-1-sulfonyl chloride Pricemore >>

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