Benzoic acid, 3-(2,2,2-trifluoroacetyl)-, ethyl ester

CAS Registry Number®

898787-11-6
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CAS Name

Benzoic acid, 3-(2,2,2-trifluoroacetyl)-, ethyl ester

Molecular Formula

C11H9F3O3

Molecular Mass

246.18

Cite this Page

Benzoic acid, 3-(2,2,2-trifluoroacetyl)-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=898787-11-6 (retrieved 2024-08-16) (CAS RN: 898787-11-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H9F3O3/c1-2-17-10(16)8-5-3-4-7(6-8)9(15)11(12,13)14/h3-6H,2H2,1H3

InChIKey

InChIKey=DIDNWEUOZHFCKH-UHFFFAOYSA-N

SMILES

C(C(F)(F)F)(=O)C1=CC(C(OCC)=O)=CC=C1

Canonical SMILES

O=C(OCC)C1=CC=CC(=C1)C(=O)C(F)(F)F

Other Names for this Substance

  • Benzoic acid, 3-(2,2,2-trifluoroacetyl)-, ethyl ester
  • Ethyl 3-(2,2,2-trifluoroacetyl)benzoate
  • 3′-Carboethoxy-2,2,2-trifluoroacetophenone