4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzoic acid

CAS Registry Number®

2121513-72-0
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CAS Name

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzoic acid

Molecular Formula

C14H16BF3O4

Molecular Mass

316.08

Cite this Page

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2121513-72-0 (retrieved 2024-08-17) (CAS RN: 2121513-72-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H16BF3O4/c1-12(2)13(3,4)22-15(21-12)8-5-6-9(11(19)20)10(7-8)14(16,17)18/h5-7H,1-4H3,(H,19,20)

InChIKey

InChIKey=WGMLHOOENBAYCN-UHFFFAOYSA-N

SMILES

CC1(C)OB(OC1(C)C)C2=CC(C(F)(F)F)=C(C(O)=O)C=C2

Canonical SMILES

O=C(O)C1=CC=C(C=C1C(F)(F)F)B2OC(C)(C)C(O2)(C)C

Other Names for this Substance

  • Benzoic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)-
  • 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzoic acid