Boronic acid, B-[3-nitro-5-[(phenylmethyl)amino]phenyl]-, hydrochloride (1:1)

CAS Registry Number®

913835-78-6

CAS Name

Boronic acid, B-[3-nitro-5-[(phenylmethyl)amino]phenyl]-, hydrochloride (1:1)

Molecular Formula

C13H13BN2O4.ClH

Cite this Page

Boronic acid, B-[3-nitro-5-[(phenylmethyl)amino]phenyl]-, hydrochloride (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=913835-78-6 (retrieved 2024-11-25) (CAS RN: 913835-78-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H13BN2O4.ClH/c17-14(18)11-6-12(8-13(7-11)16(19)20)15-9-10-4-2-1-3-5-10;/h1-8,15,17-18H,9H2;1H

InChIKey

InChIKey=YSXGPPOSKCOXDK-UHFFFAOYSA-N

SMILES

N(CC1=CC=CC=C1)C2=CC(B(O)O)=CC(N(=O)=O)=C2.Cl

Canonical SMILES

Cl.O=N(=O)C=1C=C(C=C(C1)B(O)O)NCC=2C=CC=CC2

Other Names for this Substance

  • Boronic acid, B-[3-nitro-5-[(phenylmethyl)amino]phenyl]-, hydrochloride (1:1)
  • Boronic acid, [3-nitro-5-[(phenylmethyl)amino]phenyl]-, monohydrochloride

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