2-(4-(Bromomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C₁₃H₁₈BBrO₂CAS 138500-85-3297.00 g/mol

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Alkyl halide Boronic ester

Properties

Molecular formula: C₁₃H₁₈BBrO₂
Molar mass: 297.00 g/mol
Exact mass: 296.0583 Da
logP: 2.88Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

138500-85-3

SMILES

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

InChIKey

CBUOGMOTDGNEAW-UHFFFAOYSA-N

InChI

InChI=1S/C13H18BBrO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-8H,9H2,1-4H3

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Names and synonyms

1 names

4-(Bromomethyl)benzeneboronic acid pinacol ester

Work with 2-(4-(Bromomethyl)phenyl)-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

2-(4-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane171364-79-753 % similar 4-Formylphenylboronic acid pinacol ester128376-64-750 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile171364-82-250 % similar 4-[4-(4,4,5,5-Tetramethyl[1,3,2]dioxaborolan-2-yl)benzyl]thiomorpholine 1,1-dioxide1092563-25-149 % similar 4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine568577-88-849 % similar 1-(4-Phenylboronic acid pinacol ester)-1,2,2-triphenylethene1260865-91-549 % similar 2,4-Diphenyl-6-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,5-triazine1219956-23-646 % similar N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide480424-94-046 % similar

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

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