B-[4-Chloro-2-methyl-5-(3-pyridinylmethoxy)phenyl]boronic acid

CAS Registry Number®

2096339-48-7

CAS Name

B-[4-Chloro-2-methyl-5-(3-pyridinylmethoxy)phenyl]boronic acid

Molecular Formula

C13H13BClNO3

Molecular Mass

277.51

Cite this Page

B-[4-Chloro-2-methyl-5-(3-pyridinylmethoxy)phenyl]boronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2096339-48-7 (retrieved 2024-12-11) (CAS RN: 2096339-48-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H13BClNO3/c1-9-5-12(15)13(6-11(9)14(17)18)19-8-10-3-2-4-16-7-10/h2-7,17-18H,8H2,1H3

InChIKey

InChIKey=SYNHYQFOXOBFFB-UHFFFAOYSA-N

SMILES

O(CC=1C=CC=NC1)C2=CC(B(O)O)=C(C)C=C2Cl

Canonical SMILES

ClC=1C=C(C(=CC1OCC=2C=NC=CC2)B(O)O)C

Other Names for this Substance

  • Boronic acid, B-[4-chloro-2-methyl-5-(3-pyridinylmethoxy)phenyl]-
  • B-[4-Chloro-2-methyl-5-(3-pyridinylmethoxy)phenyl]boronic acid

CAS INSIGHTSTM
Abstract molecules design, Atoms, Medical background