B-[3-Chloro-4-[[(phenylmethyl)amino]carbonyl]phenyl]boronic acid

CAS Registry Number®

850589-42-3

CAS Name

B-[3-Chloro-4-[[(phenylmethyl)amino]carbonyl]phenyl]boronic acid

Molecular Formula

C14H13BClNO3

Molecular Mass

289.52

Cite this Page

B-[3-Chloro-4-[[(phenylmethyl)amino]carbonyl]phenyl]boronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=850589-42-3 (retrieved 2024-11-21) (CAS RN: 850589-42-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H13BClNO3/c16-13-8-11(15(19)20)6-7-12(13)14(18)17-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2,(H,17,18)

InChIKey

InChIKey=KPMFJSKLOSUPQR-UHFFFAOYSA-N

SMILES

C(NCC1=CC=CC=C1)(=O)C2=C(Cl)C=C(B(O)O)C=C2

Canonical SMILES

O=C(NCC=1C=CC=CC1)C2=CC=C(C=C2Cl)B(O)O

Other Names for this Substance

  • Boronic acid, B-[3-chloro-4-[[(phenylmethyl)amino]carbonyl]phenyl]-
  • Boronic acid, [3-chloro-4-[[(phenylmethyl)amino]carbonyl]phenyl]-
  • B-[3-Chloro-4-[[(phenylmethyl)amino]carbonyl]phenyl]boronic acid
  • [4-(Benzylcarbamoyl)-3-chlorophenyl]boronic acid
  • (4-(Benzylcarbamoyl)-3-chlorophenyl)boronicacid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration