3-Aminophenylboronic acid hydrochloride

• CAS: 85006-23-1
• Catalog Number: ACM85006231
• Category: Boro-Amino Acids
• Molecular Weight: 173.41g/mol
• Molecular Formula: C6H9BClNO2
• Synonyms: TIMTEC-BB SBB003816;3-AMINOPHENYLBORONIC ACID, HCL;3-AMINOPHENYLBORONIC ACID HYDROCHLORIDE;3-AMINOBENZENEBORONIC ACID HCL;3-AMINOBENZENEBORONIC ACID HYDROCHLORIDE;M-AMINOPHENYLBORONIC ACID HYDROCHLORIDE;(m-aminophenyl)metaboric acid hydrochloride;3-aminop
• IUPAC Name: (3-aminophenyl)boronic acid;hydrochloride
• Canonical SMILES: B(C1=CC(=CC=C1)N)(O)O.Cl
• InChI: InChI=1S/C6H8BNO2.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h1-4,9-10H,8H2;1H
• InChI Key: QBMHZZHJIBUPOX-UHFFFAOYSA-N
• Complexity: 110
• Covalently-Bonded Unit Count: 2
• Exact Mass: 173.041486g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 4
• Heavy Atom Count: 11
• Monoisotopic Mass: 173.041486g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the PubChem CID of the compound?

CID 2763241

What is the molecular formula of the compound?

C6H9BClNO2

What are some synonyms of the compound?

85006-23-1, 3-Aminophenylboronic acid hydrochloride, (3-aminophenyl)boronic Acid Hydrochloride, 3-Aminophenylboronic acid, HCl, 3-Aminophenylboronic acid HCl

What is the molecular weight of the compound?

173.41 g/mol

What is the IUPAC name of the compound?

(3-aminophenyl)boronic acid;hydrochloride

What is the InChI of the compound?

InChI=1S/C6H8BNO2.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h1-4,9-10H,8H2;1H

What is the InChIKey of the compound?

QBMHZZHJIBUPOX-UHFFFAOYSA-N

What is the canonical SMILES of the compound?

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

What is the CAS number of the compound?

85006-23-1

Is the compound canonicalized?

Yes