chempirical

3-(Naphthalene-2-yl)phenylboronic acid

C16H13BO2CAS 870774-29-1248.09 g/mol

Open in Covalent MOL file
BOHHO
Boronic acid

Properties

Molecular formula
C16H13BO2
Molar mass
248.09 g/mol
Exact mass
248.1009 Da
logP
2.19Crippen estimate
Polar surface area
40.5 Ų
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
870774-29-1
SMILES
B(C1=CC(=CC=C1)C2=CC3=CC=CC=C3C=C2)(O)O
InChIKey
WLKQDOGZCIYEOM-UHFFFAOYSA-N
InChI
InChI=1S/C16H13BO2/c18-17(19)16-7-3-6-14(11-16)15-9-8-12-4-1-2-5-13(12)10-15/h1-11,18-19H

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Names and synonyms

1 names
  • 3-(2-Naphthyl)phenylboronic Acid

Work with 3-(Naphthalene-2-yl)phenylboronic 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

Biphenyl-3-boronic acid5122-95-271 % similar 2-Naphthylboronic acid32316-92-064 % similar 2,2′-Binaphthalene612-78-258 % similar 2-Phenylnaphthalene612-94-257 % similar 2-Anthraceneboronic Acid (contains varying amounts of Anhydride)141981-64-857 % similar (3-(10-Phenylanthracen-9-yl)phenyl)boronic acid905947-49-156 % similar 1,3-Benzenediboronic acid4612-28-656 % similar (3-(Pyridin-3-yl)phenyl)boronic acid351422-72-554 % 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 (6-Phenylnaphthalen-2-yl)boronic acid876442-90-9 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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