Cas no 850154-02-8 (Benzenesulfonyl chloride, 2-cyano-3-methyl-)

Benzenesulfonyl chloride, 2-cyano-3-methyl- structure
850154-02-8 structure
Product Name:Benzenesulfonyl chloride, 2-cyano-3-methyl-
CAS No:850154-02-8
MF:C8H6ClNO2S
MW:215.656739711761
CID:4226757
PubChem ID:50901558
Update Time:2025-04-24

Benzenesulfonyl chloride, 2-cyano-3-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonyl chloride, 2-cyano-3-methyl-
    • 2-cyano-3-methylbenzene-1-sulfonyl chloride
    • 2-cyano-3-methyl-benzenesulfonylchloride
    • AKOS006336840
    • 2-cyano-3-methylbenzene-1-sulfonylchloride
    • 2-cyano-3-methylbenzenesulfonyl chloride
    • 2-cyano-3-methyl-phenylsulfonylchloride
    • SY146308
    • G55766
    • 838-217-5
    • 2-Cyano-3-methyl-1-benzenesulfonyl Chloride
    • CS-0531058
    • XAZPRNGSYCSCHD-UHFFFAOYSA-N
    • EN300-115165
    • MFCD18394316
    • 850154-02-8
    • SCHEMBL4972108
    • Inchi: 1S/C8H6ClNO2S/c1-6-3-2-4-8(7(6)5-10)13(9,11)12/h2-4H,1H3
    • InChI Key: XAZPRNGSYCSCHD-UHFFFAOYSA-N
    • SMILES: C1(S(Cl)(=O)=O)=CC=CC(C)=C1C#N

Computed Properties

  • Exact Mass: 214.9807773Da
  • Monoisotopic Mass: 214.9807773Da
  • 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

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