(2-Aminophenyl)boronic acid hydrochloride

C₆H₉BClNO₂CAS 863753-30-4173.40 g/mol

Open in Covalent MOL file

Boronic acid Primary amine

Properties

Molecular formula: C₆H₉BClNO₂
Molar mass: 173.40 g/mol
Exact mass: 173.0415 Da
logP: -0.63Crippen estimate
Polar surface area: 66.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

863753-30-4

SMILES

B(C1=CC=CC=C1N)(O)O.Cl

InChIKey

WPDASZCYRKGSTO-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

2-Aminophenylboronic acid hydrochloride

Work with (2-Aminophenyl)boronic acid hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(2-Aminophenyl)boronic acid5570-18-3Free base

Similar compounds

o-Aminophenol hydrochloride51-19-448 % similar (2-Bromophenyl)boronic acid244205-40-145 % similar (2-Hydroxyphenyl)boronic acid89466-08-045 % similar 2-Methoxyphenylboronic acid5720-06-944 % similar o-Chloroaniline hydrochloride137-04-243 % similar 2-Methylphenylboronic acid16419-60-643 % similar 2-Fluorophenylboronic acid1993-03-943 % similar 2-Chlorophenylboronic acid3900-89-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(4-Aminophenyl)boronic acid hydrochloride80460-73-7 3-Aminophenylboronic acid hydrochloride85006-23-1

Elsewhere

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