2,5-Dichlorobenzeneboronic acid

C₆H₅BCl₂O₂CAS 135145-90-3190.81 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

135145-90-3

SMILES

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

InChIKey

NNTFPBXQPOQRBT-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2,5-Dichlorophenylboronic acid

Work with 2,5-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

5-Chloro-2-methoxyphenylboronic acid89694-48-455 % similar 3-Borono-4-chlorobenzoic acid913835-75-351 % similar 2-Chloro-5-(trifluoromethoxy)phenylboronic acid1022922-16-250 % similar 1,2,4-Trichlorobenzene120-82-150 % similar B-(2,3,4-Trichlorophenyl)boronic acid352530-21-350 % similar 5-Chloro-2-ethoxyphenylboronic acid352534-86-250 % similar B-(4-Chloro-2-formylphenyl)boronic acid913835-76-450 % similar 2,5-Dichlorophenol583-78-848 % similar

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

Same formula

(2,3-Dichlorophenyl)boronic acid151169-74-3 3,4-Dichlorobenzeneboronic acid151169-75-4

Elsewhere

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