3-Chloro-4-hydroxyphenylboronic acid

C₆H₆BClO₃CAS 182344-13-4172.37 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

182344-13-4

SMILES

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

InChIKey

WWQIKFZZILXJHG-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 3-Chloro-4-hydroxyphenylboronic 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

3,4-Dichlorobenzeneboronic acid151169-75-467 % similar 3-Chloro-4-fluorophenylboronic acid144432-85-958 % similar B-(3-Chloro-4-methylphenyl)boronic acid175883-63-358 % similar 3-Fluoro-4-hydroxybenzeneboronic acid182344-14-555 % similar 4-Chloro-3-fluorophenylboronic Acid137504-86-053 % similar 3-Chloro-4-methoxybenzeneboronic acid175883-60-053 % similar 2,4-Dichlorophenol120-83-252 % similar Chlorohydroquinone615-67-852 % similar

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

Elsewhere

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