(6-Phenylnaphthalen-2-yl)boronic acid

C₁₆H₁₃BO₂CAS 876442-90-9248.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₃BO₂
Molar mass: 248.09 g/mol
Exact mass: 248.1009 Da
logP: 2.19Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

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

876442-90-9

SMILES

B(C1=CC2=C(C=C1)C=C(C=C2)C3=CC=CC=C3)(O)O

InChIKey

XDKCHGWZDWHBQO-UHFFFAOYSA-N

InChI

InChI=1S/C16H13BO2/c18-17(19)16-9-8-14-10-13(6-7-15(14)11-16)12-4-2-1-3-5-12/h1-11,18-19H

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Names and synonyms

1 names

Boronic acid, (6-phenyl-2-naphthalenyl)-

Work with (6-Phenylnaphthalen-2-yl)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

4-Biphenylboronic acid5122-94-169 % similar Biphenyl-3-boronic acid5122-95-268 % similar 2-Naphthylboronic acid32316-92-067 % similar 2-Anthraceneboronic Acid (contains varying amounts of Anhydride)141981-64-864 % similar 2-Phenylnaphthalene612-94-259 % similar (3,5-Diphenylphenyl)boronic acid128388-54-559 % similar B-(6,9-Diphenyl-9H-carbazol-3-yl)boronic acid1133058-06-655 % similar 4,4'-Biphenyldiboronic acid4151-80-854 % similar

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

Same formula

4-Phenylnaphthalene-1-boronic Acid372521-91-0 4-(Naphthalen-1-yl)phenylboronic acid870774-25-7 3-(Naphthalene-2-yl)phenylboronic acid870774-29-1 3-(1-Naphthyl)phenylboronic Acid (contains varying amounts of Anhydride)881913-20-8 4-(2-Naphthyl)phenylboronic Acid918655-03-5

Elsewhere

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