chempirical

4-(Naphthalen-1-yl)phenylboronic acid

C16H13BO2CAS 870774-25-7248.09 g/mol

Open in Covalent MOL file
BHOHO
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
870774-25-7
SMILES
B(C1=CC=C(C=C1)C2=CC=CC3=CC=CC=C32)(O)O
InChIKey
BQHVXFQXTOIMQM-UHFFFAOYSA-N
InChI
InChI=1S/C16H13BO2/c18-17(19)14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,18-19H

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Names and synonyms

1 names
  • 4-(1-Naphthyl)phenylboronic Acid (contains varying amounts of Anhydride)

Work with 4-(Naphthalen-1-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

1-Phenylnaphthalene605-02-759 % similar 10-(1-Naphthyl)anthracene-9-boronic acid400607-46-756 % similar 4-(1-Naphthalenyl)benzenamine125404-00-455 % similar 1-(4-Bromophenyl)naphthalene204530-94-955 % similar Bis(4-(naphthalen-1-yl)phenyl)amine897671-74-855 % similar 4-Biphenylboronic acid5122-94-153 % similar 1-Naphthylboronic acid13922-41-350 % similar 9,10-Di(1-naphthyl)anthracene26979-27-150 % similar

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

Same formula

4-Phenylnaphthalene-1-boronic Acid372521-91-0 3-(Naphthalene-2-yl)phenylboronic acid870774-29-1 (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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