3-Aminophenylboronic acid hydrochloride
Properties
- Molecular formula
- C6H9BClNO2
- Molar mass
- 173.40 g/mol
- Exact mass
- 173.0415 Da
- logP
- -0.63Crippen estimate
- Polar surface area
- 66.5 Ų
- 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.
Identifiers
CAS number
85006-23-1SMILES
Cl.Nc1cccc(B(O)O)c1InChIKey
QBMHZZHJIBUPOX-UHFFFAOYSA-NInChI
InChI=1S/C6H8BNO2.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h1-4,9-10H,8H2;1HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Boronic acid, B-(3-aminophenyl)-, hydrochloride (1:1)
- Boronic acid, (3-aminophenyl)-, hydrochloride
- (m-Aminophenyl)boronic acid hydrochloride
Work with 3-Aminophenylboronic acid hydrochloride
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.
Similar compounds
1,3-Benzenediboronic acid4612-28-658 % similar
m-Phenylenediamine hydrochloride541-69-558 % similar
(3-Aminomethylphenyl)boronic acid hydrochloride352525-94-156 % similar
m-Aminophenol hydrochloride51-81-052 % similar
3-(Dimethylamino)phenylboronic acid hydrochloride (contains varying amounts of anhydride)1256355-23-351 % similar
3-Chloroaniline hydrochloride141-85-548 % similar
3-Chlorophenylboronic acid63503-60-648 % similar
3-Fluorophenylboronic acid768-35-448 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.