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

C₁₀H₉BO₃CAS 173194-95-1187.99 g/mol

Open in Covalent MOL file

Boronic acid Phenol

Properties

Molecular formula: C₁₀H₉BO₃
Molar mass: 187.99 g/mol
Exact mass: 188.0645 Da
logP: 0.23Crippen estimate
Polar surface area: 60.7 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1

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-Hydroxyphenyl)boronic acid71597-85-863 % similar 2-Naphthylboronic acid32316-92-062 % similar (3-Hydroxyphenyl)boronic acid87199-18-659 % similar 2,7-Naphthalenediol582-17-254 % similar 2-Naphthol135-19-354 % similar 6,6′-Dithiobis[2-naphthalenol]6088-51-348 % similar 6-Ethoxynaphthalen-2-yl boronic acid352525-98-546 % similar

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

Elsewhere

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