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

C6H6BClO3CAS 89488-25-5172.37 g/mol

Open in Covalent MOL file
BClHOHOHO
Aryl halideBoronic acidPhenol

Properties

Molecular formula
C6H6BClO3
Molar mass
172.37 g/mol
Exact mass
172.0099 Da
logP
-0.27Crippen estimate
Polar surface area
60.7 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

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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