3,4-Dichlorobenzeneboronic acid

C₆H₅BCl₂O₂CAS 151169-75-4190.81 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

151169-75-4

SMILES

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

InChIKey

JKIGHOARKAIPJI-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3,4-Dichlorophenylboronic acid

Work with 3,4-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

B-(3-Chloro-4-methylphenyl)boronic acid175883-63-364 % similar B-(4-Chloro-3-methoxyphenyl)boronic acid89694-47-358 % similar 3-Chloro-4-ethoxyphenylboronic acid279261-81-353 % similar (4-Chlorophenyl)boronic acid1679-18-150 % similar 1-Methyl 5-borono-2-chlorobenzoate874219-45-149 % similar 2-Naphthylboronic acid32316-92-046 % similar B-(2-Chloro-4-pyridinyl)boronic acid458532-96-245 % similar (3,4-Difluorophenyl)boronic acid168267-41-245 % 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

Elsewhere

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