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

C₁₂H₁₆BClO₂CAS 870195-94-1238.52 g/mol

Open in Covalent MOL file

Aryl halide Boronic ester

Properties

Molecular formula: C₁₂H₁₆BClO₂
Molar mass: 238.52 g/mol
Exact mass: 238.0932 Da
logP: 2.64Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

870195-94-1

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2Cl

InChIKey

CDVCBWQNFHAZRD-UHFFFAOYSA-N

InChI

InChI=1S/C12H16BClO2/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8H,1-4H3

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Names and synonyms

1 names

2-Chlorophenylboronic acid, pinacol ester

Work with 2-(2-Chlorophenyl)-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-(1-Naphthylene)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane68716-52-961 % similar 4-Chloropyridin-3-ylboronic acid, pinacol ester 98452972-15-560 % similar 3-Chloro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine458532-90-660 % similar 4,4,5,5-Tetramethyl-2-o-tolyl-1,3,2-dioxaborolane195062-59-059 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline191171-55-858 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol269409-97-458 % similar 2-(2-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane876062-39-458 % similar 2-(2-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane190788-60-456 % similar

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

Elsewhere

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