(3,5-Diphenylphenyl)boronic acid

C₁₈H₁₅BO₂CAS 128388-54-5274.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₁₅BO₂
Molar mass: 274.13 g/mol
Exact mass: 274.1165 Da
logP: 2.70Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

128388-54-5

SMILES

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

InChIKey

MRBZYVMZUBUDAX-UHFFFAOYSA-N

InChI

InChI=1S/C18H15BO2/c20-19(21)18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1-13,20-21H

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Work with (3,5-Diphenylphenyl)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

Biphenyl-3-boronic acid5122-95-272 % similar 4-Biphenylboronic acid5122-94-167 % similar (6-Phenylnaphthalen-2-yl)boronic acid876442-90-959 % similar 1,3,5-Triphenylbenzene612-71-557 % similar Phenylboronic acid98-80-657 % similar (3-(10-Phenylanthracen-9-yl)phenyl)boronic acid905947-49-155 % similar 3-(Naphthalene-2-yl)phenylboronic acid870774-29-152 % similar 4,4'-Biphenyldiboronic acid4151-80-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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