(2,3-Dichlorophenyl)boronic acid

C₆H₅BCl₂O₂CAS 151169-74-3190.81 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

Identifiers

CAS number

151169-74-3

SMILES

OB(O)c1cccc(Cl)c1Cl

InChIKey

TYIKXPOMOYDGCS-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Boronic acid, B-(2,3-dichlorophenyl)-
Boronic acid, (2,3-dichlorophenyl)-
B-(2,3-Dichlorophenyl)boronic acid
(2,3-Dichlorophenyl)dihydroxyborane
2,3-Dichlorobenzeneboronic acid

Work with (2,3-Dichlorophenyl)boronic 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

B-(2,3,4-Trichlorophenyl)boronic acid352530-21-369 % similar (2-Chloro-3-fluorophenyl)boronic acid871329-52-159 % similar 1,2,3-Trichlorobenzene87-61-652 % similar 2,3-Dichlorophenol576-24-946 % similar (2,3-Difluorophenyl)boronic acid121219-16-745 % similar 2-Chloro-6-fluorophenylboronic acid313545-32-344 % similar B-(4-Chloro-3-pyridinyl)boronic acid452972-10-044 % similar (3-Chloropyridin-4-yl)boronic acid458532-98-444 % similar

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

Same formula

2,5-Dichlorobenzeneboronic acid135145-90-3

Elsewhere

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