B-(6-Hydroxy-2-naphthalenyl)boronic acid

C10H9BO3CAS 173194-95-1187.99 g/mol

Open in Covalent MOL file
HOBHOOH
Boronic acidPhenol

Properties

Molecular formula
C10H9BO3
Molar mass
187.99 g/mol
Exact mass
188.0645 Da
logP
0.23Crippen estimate
Polar surface area
60.7 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
173194-95-1
SMILES
OB(O)c1ccc2cc(O)ccc2c1
InChIKey
SNJANQMHRGSHFN-UHFFFAOYSA-N
InChI
InChI=1S/C10H9BO3/c12-10-4-2-7-5-9(11(13)14)3-1-8(7)6-10/h1-6,12-14H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Boronic acid, B-(6-hydroxy-2-naphthalenyl)-
  • Boronic acid, (6-hydroxy-2-naphthalenyl)-
  • 6-Hydroxy-2-naphthaleneboronic acid
  • (6-Hydroxynaphthalen-2-yl)boronic acid

Work with B-(6-Hydroxy-2-naphthalenyl)boronic acid

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

Similar compounds

2,6-Dihydroxynaphthalene581-43-164 % similar 4-Hydroxyphenylboronic acid71597-85-863 % similar 2-Naphthylboronic acid32316-92-062 % similar 2-Anthraceneboronic Acid (contains varying amounts of Anhydride)141981-64-859 % similar (3-Hydroxyphenyl)boronic acid87199-18-659 % similar 2,7-Naphthalenediol582-17-254 % similar 2-Naphthol135-19-354 % similar (6-Phenylnaphthalen-2-yl)boronic acid876442-90-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook