4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

C₁₃H₁₆BNO₂CAS 171364-82-2229.09 g/mol

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Properties

Molecular formula: C₁₃H₁₆BNO₂
Molar mass: 229.09 g/mol
Exact mass: 229.1274 Da
Melting point: 94–95 °C
logP: 1.86Crippen estimate
Polar surface area: 42.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

171364-82-2

SMILES

CC1(C)OB(c2ccc(C#N)cc2)OC1(C)C

InChIKey

HOPDTPGXBZCBNP-UHFFFAOYSA-N

InChI

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

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Names and synonyms

5 names

Benzonitrile, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
2-(4-Cyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4,4,5,5-Tetramethyl-2-(4-cyanophenyl)-1,3,2-dioxaborolane
4-(Cyanophenyl)boronic acid pinacol ester
1,1,2,2-Tetramethyldimethylene (4-cyanophenyl)boronate

Work with 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

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

Same formula

(3-Cyanophenyl)boronic acid pinacol ester214360-46-0

Elsewhere

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