3-[(Trifluoromethyl)sulfonyl]benzeneacetonitrile

CAS Registry Number®

1301739-15-0
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CAS Name

3-[(Trifluoromethyl)sulfonyl]benzeneacetonitrile

Molecular Formula

C9H6F3NO2S

Molecular Mass

249.21

Cite this Page

3-[(Trifluoromethyl)sulfonyl]benzeneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1301739-15-0 (retrieved 2024-07-02) (CAS RN: 1301739-15-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H6F3NO2S/c10-9(11,12)16(14,15)8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2

InChIKey

InChIKey=KVXGLHGFFPDFCE-UHFFFAOYSA-N

SMILES

S(C(F)(F)F)(=O)(=O)C1=CC(CC#N)=CC=C1

Canonical SMILES

N#CCC1=CC=CC(=C1)S(=O)(=O)C(F)(F)F

Other Names for this Substance

  • Benzeneacetonitrile, 3-[(trifluoromethyl)sulfonyl]-
  • 3-[(Trifluoromethyl)sulfonyl]benzeneacetonitrile