Cas no 950694-01-6 (2-[2-(Trifluoromethyl)benzene-1-sulfonyl]pyridine)

2-[2-(Trifluoromethyl)benzene-1-sulfonyl]pyridine structure
950694-01-6 structure
Product Name:2-[2-(Trifluoromethyl)benzene-1-sulfonyl]pyridine
CAS No:950694-01-6
MF:C12H8F3NO2S
MW:287.257632255554
CID:2818607
PubChem ID:57356899
Update Time:2025-04-21

2-[2-(Trifluoromethyl)benzene-1-sulfonyl]pyridine Chemical and Physical Properties

Names and Identifiers

    • 2-[2-(Trifluoromethyl)benzene-1-sulfonyl]pyridine
    • DTXSID30723477
    • 950694-01-6
    • Inchi: 1S/C12H8F3NO2S/c13-12(14,15)9-5-1-2-6-10(9)19(17,18)11-7-3-4-8-16-11/h1-8H
    • InChI Key: WMCWBUVQIJCGDE-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=CN=1)(C1C=CC=CC=1C(F)(F)F)(=O)=O

Computed Properties

  • Exact Mass: 287.02278416Da
  • Monoisotopic Mass: 287.02278416Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 402
  • 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: 2.9
  • Topological Polar Surface Area: 55.4?2
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