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

CAS Registry Number®

936728-22-2

CAS Name

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

Molecular Formula

C13H16BFO4

Molecular Mass

266.07

Cite this Page

3-Fluoro-5-(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=936728-22-2 (retrieved 2024-11-22) (CAS RN: 936728-22-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    212-215 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=NMYIHYHALOHVHV-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C=1C=C(F)C=C(C1)B2OC(C)(C)C(O2)(C)C

Other Names for this Substance

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

CAS INSIGHTSTM
Targeted protein degrader structure, illustration