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

CAS Registry Number®

2096331-90-5

CAS Name

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

Molecular Formula

C13H16BClO4

Molecular Mass

282.53

Cite this Page

2-Chloro-3-(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=2096331-90-5 (retrieved 2024-11-22) (CAS RN: 2096331-90-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H16BClO4/c1-12(2)13(3,4)19-14(18-12)9-7-5-6-8(10(9)15)11(16)17/h5-7H,1-4H3,(H,16,17)

InChIKey

InChIKey=PYLCRLCEYRXOOJ-UHFFFAOYSA-N

SMILES

ClC1=C(C=CC=C1C(O)=O)B2OC(C)(C)C(C)(C)O2

Canonical SMILES

O=C(O)C=1C=CC=C(B2OC(C)(C)C(O2)(C)C)C1Cl

Other Names for this Substance

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

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