(10-Phenylanthracen-9-yl)boronic acid

C20H15BO2CAS 334658-75-2298.15 g/mol

Open in Covalent MOL file
BHOHO
Boronic acid

Properties

Molecular formula
C20H15BO2
Molar mass
298.15 g/mol
Exact mass
298.1165 Da
logP
3.34Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number
334658-75-2
SMILES
B(C1=C2C=CC=CC2=C(C3=CC=CC=C13)C4=CC=CC=C4)(O)O
InChIKey
RVPCPPWNSMAZKR-UHFFFAOYSA-N
InChI
InChI=1S/C20H15BO2/c22-21(23)20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-13,22-23H

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Work with (10-Phenylanthracen-9-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

B-(10-[1,1′-Biphenyl]-4-yl-9-anthracenyl)boronic acid400607-47-892 % similar 10-(2-Naphthyl)anthracene-9-boronic acid597554-03-563 % similar 9,10-Diphenylanthracene-2-boronic Acid597553-98-561 % similar (3-(10-Phenylanthracen-9-yl)phenyl)boronic acid905947-49-161 % similar 9,10-Diphenylanthracene1499-10-161 % similar 10-(1-Naphthyl)anthracene-9-boronic acid400607-46-758 % similar 9,10-Diphenylphenanthrene602-15-352 % similar 1,2,3,4-Tetraphenylnaphthalene751-38-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook