(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzene

C₁₁H₁₅BO₂CAS 5123-13-7190.05 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₅BO₂
Molar mass: 190.05 g/mol
Exact mass: 190.1165 Da
logP: 1.45Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

5123-13-7

SMILES

B1(OCC(CO1)(C)C)C2=CC=CC=C2

InChIKey

FQMSNYZDFMWLGC-UHFFFAOYSA-N

InChI

InChI=1S/C11H15BO2/c1-11(2)8-13-12(14-9-11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3

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Names and synonyms

1 names

5,5-Dimethyl-2-phenyl-1,3,2-dioxaborinane

Work with (5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzene

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

2,2′-(1,4-Phenylene)bis[5,5-dimethyl-1,3,2-dioxaborinane]5565-36-680 % similar 3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)pyridine845885-86-164 % similar 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile214360-47-154 % similar Phenylboronic acid pinacol ester24388-23-650 % similar Bis(neopentyl glycolato)diboron201733-56-444 % similar Triphenylboroxin3262-89-344 % similar Neopentyl glycol dibenzoate4196-89-842 % similar 2-(4-Biphenylyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane144432-80-440 % similar

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

Elsewhere

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