Cas no 16734-96-6 (Ethanone, 1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]-)

Ethanone, 1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]- structure
16734-96-6 structure
Product Name:Ethanone, 1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]-
CAS No:16734-96-6
MF:C15H14O3S
MW:274.334863185883
CID:1348029
PubChem ID:20100080
Update Time:2025-04-20

Ethanone, 1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]- Chemical and Physical Properties

Names and Identifiers

    • Ethanone, 1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]-
    • 16734-96-6
    • 1-[4'-(Methylsulfonyl)[1,1'-biphenyl]-4-yl] ethanone
    • AKOS004118746
    • Inchi: 1S/C15H14O3S/c1-11(16)12-3-5-13(6-4-12)14-7-9-15(10-8-14)19(2,17)18/h3-10H,1-2H3
    • InChI Key: UHFIVZSQKZXHRG-UHFFFAOYSA-N
    • SMILES: S(C)(C1C=CC(=CC=1)C1C=CC(C(C)=O)=CC=1)(=O)=O

Computed Properties

  • Exact Mass: 274.06642
  • Monoisotopic Mass: 274.066
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 405
  • 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
  • Topological Polar Surface Area: 59.6A^2
  • XLogP3: 2.5

Experimental Properties

  • PSA: 51.21
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