2,6-Dichlorobenzeneboronic acid

C₆H₅BCl₂O₂CAS 73852-17-2190.81 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₆H₅BCl₂O₂
Molar mass: 190.81 g/mol
Exact mass: 189.9760 Da
logP: 0.67Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 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

73852-17-2

SMILES

B(C1=C(C=CC=C1Cl)Cl)(O)O

InChIKey

CXDPUSMFYPQXCV-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BCl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,10-11H

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Names and synonyms

1 names

2,6-Dichlorophenylboronic acid

Work with 2,6-Dichlorobenzeneboronic acid

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-Chloro-6-fluorophenylboronic acid313545-32-368 % similar 2,4,6-Trichlorobenzeneboronic acid73852-18-365 % similar 2-Chloro-6-methoxyphenylboronic acid385370-80-961 % similar 2-Chlorophenylboronic acid3900-89-858 % similar 3-Chloro-2-fluorophenylboronic acid352535-82-150 % similar 2-Chloro-6-fluoro-5-methylphenylboronic acid352535-86-548 % similar 2,6-Dimethylphenylboronic acid100379-00-848 % similar 2,6-Difluorophenylboronic acid162101-25-948 % similar

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

Same formula

2,5-Dichlorobenzeneboronic acid135145-90-3 (2,3-Dichlorophenyl)boronic acid151169-74-3 3,4-Dichlorobenzeneboronic acid151169-75-4 3,5-Dichlorophenylboronic acid67492-50-6 2,4-Dichlorophenylboronic acid68716-47-2

Elsewhere

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