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

C₁₂H₁₅BCl₂O₂CAS 68716-51-8272.96 g/mol

Open in Covalent MOL file

Aryl halide Boronic ester

Properties

Molecular formula: C₁₂H₁₅BCl₂O₂
Molar mass: 272.96 g/mol
Exact mass: 272.0542 Da
logP: 3.29Crippen 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

68716-51-8

SMILES

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

InChIKey

HKSNHZBPIBSVGI-UHFFFAOYSA-N

InChI

InChI=1S/C12H15BCl2O2/c1-11(2)12(3,4)17-13(16-11)8-5-9(14)7-10(15)6-8/h5-7H,1-4H3

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Names and synonyms

1 names

3,5-Dichlorophenylboronic acid, pinacol ester

Work with 2-(3,5-Dichlorophenyl)-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

1,3,5-Phenyltriboronic acid, pinacol ester365564-05-268 % similar 3-Chloro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine865186-94-366 % similar 2,6-Dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine408492-27-361 % similar 4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane196212-27-859 % similar 2-Chloropyrimidine-5-boronic acid pinacol ester1003845-08-653 % similar 4,4,5,5-Tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane827614-70-053 % similar 3,5-Bis(trifluoromethyl)phenylboronic acid pinacol ester69807-91-652 % similar 2,2'-((1,1'-Biphenyl)-4,4'-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)207611-87-850 % similar

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

Elsewhere

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