3-Chloro-4-hydroxyphenylboronic acid

C6H6BClO3CAS 182344-13-4172.37 g/mol

Open in Covalent MOL file
BOHClHOHO
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 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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

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 3-Chloro-4-methylphenylboronic acid175883-63-358 % similar (3,4,5-Trichlorophenyl)boronic acid862248-93-957 % 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 3-Chloro-4-(trifluoromethyl)phenylboronic acid847756-88-153 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(5-Chloro-2-hydroxyphenyl)boronic Acid (contains varying amounts of Anhydride)89488-25-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook