3,5-Dichlorophenylboronic acid

C6H5BCl2O2CAS 67492-50-6190.81 g/mol

Open in Covalent MOL file
BClClHOHO
Aryl halideBoronic 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 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
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

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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 3-Chloro-5-methoxybenzeneboronic 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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