3,5-Dichlorophenylboronic acid

C₆H₅BCl₂O₂CAS 67492-50-6190.81 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

67492-50-6

SMILES

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

InChIKey

DKYRKAIKWFHQHM-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 3,5-Dichlorophenylboronic 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

3-Chloro-5-fluorophenylboronic acid328956-61-268 % similar 3-Chlorophenylboronic acid63503-60-663 % similar B-(3-Chloro-5-methoxyphenyl)boronic acid915201-07-961 % similar (3-Chloro-5-cyanophenyl)boronic acid915763-60-961 % similar (5-Chloropyridin-3-yl)boronic acid872041-85-558 % similar (4-Chlorophenyl)boronic acid1679-18-157 % similar B-(2,6-Dichloro-4-pyridinyl)boronic acid1072951-54-252 % similar 2,4,6-Trichlorobenzeneboronic acid73852-18-352 % 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 2,4-Dichlorophenylboronic acid68716-47-2 2,6-Dichlorobenzeneboronic acid73852-17-2

Elsewhere

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