2-Formylphenylboronic acid pinacol ester

C₁₃H₁₇BO₃CAS 380151-85-9232.09 g/mol

Open in Covalent MOL file

Aldehyde Boronic ester

Properties

Molecular formula: C₁₃H₁₇BO₃
Molar mass: 232.09 g/mol
Exact mass: 232.1271 Da
logP: 1.80Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

380151-85-9

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C=O

InChIKey

SLJMPQLPRHIAOM-UHFFFAOYSA-N

InChI

InChI=1S/C13H17BO3/c1-12(2)13(3,4)17-14(16-12)11-8-6-5-7-10(11)9-15/h5-9H,1-4H3

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Names and synonyms

1 names

2-Boronobenzaldehyde, pinacol ester

Work with 2-Formylphenylboronic acid pinacol ester

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-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane190788-60-456 % similar 4,4,5,5-Tetramethyl-2-o-tolyl-1,3,2-dioxaborolane195062-59-054 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline191171-55-853 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol269409-97-453 % similar 2-(2-Cyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane214360-48-250 % similar 2-Formylphenylboronic acid40138-16-750 % similar 2-Nitrobenzeneboronic acid pinacol ester190788-59-149 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl Bromide377780-72-849 % similar

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

Same formula

4-Formylphenylboronic acid pinacol ester128376-64-7

Elsewhere

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