4-Phenylnaphthalene-1-boronic Acid

C₁₆H₁₃BO₂CAS 372521-91-0248.09 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

372521-91-0

SMILES

B(C1=CC=C(C2=CC=CC=C12)C3=CC=CC=C3)(O)O

InChIKey

BSKLSKWOKGVQHF-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

4-Phenylnaphthalen-1-ylboronic acid

Work with 4-Phenylnaphthalene-1-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-Biphenylboronic acid4688-76-059 % similar Fluoranthene-3-boronic acid359012-63-856 % similar (4-Methyl-1-naphthalene)boronic acid103986-53-453 % similar 4-Bromo-1-naphthaleneboronic Acid145965-14-653 % similar (4-Chloronaphthalen-1-yl)boronic acid147102-97-453 % similar B-(4-Fluoro-1-naphthalenyl)boronic acid182344-25-853 % similar B-(6-Phenyl-4-dibenzofuranyl)boronic acid1010068-85-551 % similar (6-Phenyldibenzo[B,D]thiophen-4-yl)boronic acid1115640-18-051 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook