4-Phenoxyphenylboronic acid

C₁₂H₁₁BO₃CAS 51067-38-0214.03 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₁₂H₁₁BO₃
Molar mass: 214.03 g/mol
Exact mass: 214.0801 Da
logP: 1.16Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed11.1% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation55.6% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

51067-38-0

SMILES

B(C1=CC=C(C=C1)OC2=CC=CC=C2)(O)O

InChIKey

KFXUHRXGLWUOJT-UHFFFAOYSA-N

InChI

InChI=1S/C12H11BO3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9,14-15H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-Phenoxyphenylboronic 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

Phenylboronic acid98-80-661 % similar 1,4-Diphenoxybenzene3061-36-759 % similar 4-Benzyloxy-phenylboronic acid146631-00-758 % similar 4-Biphenylboronic acid5122-94-158 % similar Diphenyl ether101-84-855 % similar 1,4-Benzenediboronic acid4612-26-455 % similar (4-Methoxyphenyl)boronic acid5720-07-054 % similar 4-Phenoxyphenol831-82-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2-Phenoxyphenyl)boronic acid108238-09-1

Elsewhere

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