Cas no 1301739-15-0 (2-(3-trifluoromethanesulfonylphenyl)acetonitrile)

2-(3-trifluoromethanesulfonylphenyl)acetonitrile structure
1301739-15-0 structure
Product Name:2-(3-trifluoromethanesulfonylphenyl)acetonitrile
CAS No:1301739-15-0
MF:C9H6F3NO2S
MW:249.209651470184
MDL:MFCD29065960
CID:5197875
PubChem ID:121233920
Update Time:2026-03-06

2-(3-trifluoromethanesulfonylphenyl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-(Trifluoromethylsulfonyl)phenylacetonitrile
    • 2-[3-(trifluoromethylsulfonyl)phenyl]acetonitrile
    • BCC73915
    • 2-(3-trifluoromethanesulfonylphenyl)acetonitrile
    • Benzeneacetonitrile, 3-[(trifluoromethyl)sulfonyl]-
    • MDL: MFCD29065960
    • Inchi: 1S/C9H6F3NO2S/c10-9(11,12)16(14,15)8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2
    • InChI Key: KVXGLHGFFPDFCE-UHFFFAOYSA-N
    • SMILES: S(C(F)(F)F)(C1C=CC=C(CC#N)C=1)(=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 387
  • XLogP3: 1.5
  • Topological Polar Surface Area: 66.3

2-(3-trifluoromethanesulfonylphenyl)acetonitrile Pricemore >>

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