2-(2-Cyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C₁₃H₁₆BNO₂CAS 214360-48-2229.09 g/mol

Open in Covalent MOL file

Boronic ester Nitrile

Properties

Molecular formula: C₁₃H₁₆BNO₂
Molar mass: 229.09 g/mol
Exact mass: 229.1274 Da
logP: 1.86Crippen estimate
Polar surface area: 42.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

214360-48-2

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C#N

InChIKey

SKQNWSBNAIOCOC-UHFFFAOYSA-N

InChI

InChI=1S/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-8-6-5-7-10(11)9-15/h5-8H,1-4H3

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Names and synonyms

1 names

2-Cyanophenylboronic acid, pinacol ester

Work with 2-(2-Cyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

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

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinecarbonitrile878194-92-465 % similar 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile214360-47-161 % similar 4,4,5,5-Tetramethyl-2-O-tolyl-1,3,2-dioxaborolane195062-59-056 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline191171-55-854 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol269409-97-454 % similar 2-(2-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane190788-60-453 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl Bromide377780-72-850 % similar 2-Formylphenylboronic acid pinacol ester380151-85-950 % similar

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

Same formula

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile171364-82-2 (3-Cyanophenyl)boronic acid pinacol ester214360-46-0

Elsewhere

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