4-Formylphenylboronic acid pinacol ester

C₁₃H₁₇BO₃CAS 128376-64-7232.09 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

128376-64-7

SMILES

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

InChIKey

DMBMXJJGPXADPO-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

4-Formylphenylboronic acid pinacol cyclic ester

Work with 4-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-(4-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane171364-79-753 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbaldehyde1040281-83-150 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile171364-82-250 % similar N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide480424-94-050 % similar Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate171364-80-049 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate480424-70-249 % similar 1-(4-Phenylboronic acid pinacol ester)-1,2,2-triphenylethene1260865-91-549 % similar 1,1-Dimethylethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate850568-72-848 % similar

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

Elsewhere

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