2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

CAS Registry Number®

867256-77-7

CAS Name

2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

Molecular Formula

C13H16BFO4

Molecular Mass

266.07

Cite this Page

2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=867256-77-7 (retrieved 2024-11-01) (CAS RN: 867256-77-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H16BFO4/c1-12(2)13(3,4)19-14(18-12)8-5-6-9(11(16)17)10(15)7-8/h5-7H,1-4H3,(H,16,17)

InChIKey

InChIKey=BZWWFDHWZHGLFH-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C1=CC=C(C=C1F)B2OC(C)(C)C(O2)(C)C

Other Names for this Substance

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

CAS INSIGHTSTM
Adam Sanford and Orr Ravitz from CAS