10-(2-Naphthyl)anthracene-9-boronic acid

C24H17BO2CAS 597554-03-5348.21 g/mol

Open in Covalent MOL file
BHOHO
Boronic acid

Properties

Molecular formula
C24H17BO2
Molar mass
348.21 g/mol
Exact mass
348.1322 Da
logP
4.49Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
597554-03-5
SMILES
B(C1=C2C=CC=CC2=C(C3=CC=CC=C13)C4=CC5=CC=CC=C5C=C4)(O)O
InChIKey
YGVDBZMVEURVOW-UHFFFAOYSA-N
InChI
InChI=1S/C24H17BO2/c26-25(27)24-21-11-5-3-9-19(21)23(20-10-4-6-12-22(20)24)18-14-13-16-7-1-2-8-17(16)15-18/h1-15,26-27H

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Work with 10-(2-Naphthyl)anthracene-9-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

9,10-Bis(2-naphthyl)anthracene122648-99-169 % similar B-(10-[1,1′-Biphenyl]-4-yl-9-anthracenyl)boronic acid400607-47-864 % similar (10-Phenylanthracen-9-yl)boronic acid334658-75-263 % similar 9-(1-Naphthyl)-10-(2-naphthyl) anthracene855828-36-360 % similar 9-Bromo-10-(naphthalen-2-yl)anthracene474688-73-857 % similar 9-Anthraceneboronic acid100622-34-256 % similar 2-Phenyl-9,10-di(naphthalen-2-yl)-anthracene865435-20-756 % similar 9-(4-Bromophenyl)-10-(naphthalen-2-yl)anthracene936854-62-556 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

10-(1-Naphthyl)anthracene-9-boronic acid400607-46-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook