(5-Chloro-2-hydroxyphenyl)boronic Acid (contains varying amounts of Anhydride)

C₆H₆BClO₃CAS 89488-25-5172.37 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Phenol

Properties

Molecular formula: C₆H₆BClO₃
Molar mass: 172.37 g/mol
Exact mass: 172.0099 Da
logP: -0.27Crippen estimate
Polar surface area: 60.7 Å²
H-bond donors / acceptors: 3 / 3
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

89488-25-5

SMILES

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

InChIKey

GGZASRFCRAZNPO-UHFFFAOYSA-N

InChI

InChI=1S/C6H6BClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9-11H

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Names and synonyms

1 names

5-Chloro-2-hydroxyphenylboronic acid

Work with (5-Chloro-2-hydroxyphenyl)boronic Acid (contains varying amounts of Anhydride)

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

2,5-Dichlorobenzeneboronic acid135145-90-362 % similar 5-Chloro-2-methylphenylboronic acid148839-33-258 % similar (5-Chloro-2-fluoro-phenyl)boronic acid352535-83-258 % similar 5-Chloro-2-formylphenylboronic acid870238-36-158 % similar 2,4-Dichlorophenylboronic acid68716-47-257 % similar 4-Chlorocatechol2138-22-956 % similar (4-Chloro-2-fluorophenyl)boronic acid160591-91-353 % similar (4-Chloro-2-methylphenyl)boronic acid209919-30-253 % similar

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

Same formula

3-Chloro-4-hydroxyphenylboronic acid182344-13-4

Elsewhere

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