2-(2H-1,3,2-Benzodioxaborol-2-yl)-2H-1,3,2-benzodioxaborole

C₁₂H₈B₂O₄CAS 13826-27-2237.81 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₈B₂O₄
Molar mass: 237.81 g/mol
Exact mass: 238.0609 Da
logP: 1.98Crippen estimate
Polar surface area: 36.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 4 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

13826-27-2

SMILES

B1(OC2=CC=CC=C2O1)B3OC4=CC=CC=C4O3

InChIKey

WYBQOWXCLDXZNR-UHFFFAOYSA-N

InChI

InChI=1S/C12H8B2O4/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14/h1-8H

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Names and synonyms

1 names

2,2'-Bis-1,3,2-benzodioxaborole

Work with 2-(2H-1,3,2-Benzodioxaborol-2-yl)-2H-1,3,2-benzodioxaborole

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

Catecholborane274-07-740 % similar 1,3-Benzodioxole274-09-940 % similar Benzodioxan493-09-440 % similar 1,2-Dimethoxybenzene91-16-740 % similar Phenyl borate1095-03-038 % similar 2-Methoxyphenylboronic acid5720-06-937 % similar (2-Phenoxyphenyl)boronic acid108238-09-136 % similar Phenoxazine135-67-135 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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