2-Benzyloxyphenylboronic acid

C₁₃H₁₃BO₃CAS 190661-29-1228.05 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₁₃H₁₃BO₃
Molar mass: 228.05 g/mol
Exact mass: 228.0958 Da
logP: 0.95Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed30% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation90% of notifiers
H319 Causes serious eye irritation90% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 10 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

190661-29-1

SMILES

B(C1=CC=CC=C1OCC2=CC=CC=C2)(O)O

InChIKey

MCAIDINWZOCYQK-UHFFFAOYSA-N

InChI

InChI=1S/C13H13BO3/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9,15-16H,10H2

Weigh it out

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

Names and synonyms

1 names

(2-(Benzyloxy)phenyl)boronic acid

Work with 2-Benzyloxyphenylboronic 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

2-Benzyloxy-5-fluorophenylboronic acid779331-47-465 % similar (2-Benzyloxy-4-fluorophenyl)boronic acid848779-87-365 % similar (2-Ethoxyphenyl)boronic acid213211-69-961 % similar 2-(Benzyloxy)-5-(trifluoromethyl)phenylboronic acid612833-41-760 % similar 2-(2-(Benzyloxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1027757-13-655 % similar (2-Phenoxyphenyl)boronic acid108238-09-155 % similar 2-Benzyloxyphenol6272-38-455 % similar 2-Butoxyphenylboronic acid91129-69-054 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Benzyloxy-phenylboronic acid146631-00-7 3-Benzyloxy-phenylboronic acid156682-54-1

Elsewhere

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