chempirical

2,4-Dichlorophenylboronic acid

C6H5BCl2O2CAS 68716-47-2190.81 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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
68716-47-2
SMILES
B(C1=C(C=C(C=C1)Cl)Cl)(O)O
InChIKey
QNEGDGPAXKYZHZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BCl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H

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Names and synonyms

1 names
  • (2,4-Dichlorophenyl)boronic acid

Work with 2,4-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

(4-Chloro-2-fluorophenyl)boronic acid160591-91-360 % similar (4-Chloro-2-methylphenyl)boronic acid209919-30-260 % similar 2-Chloro-4-fluorobenzeneboronic acid313545-72-160 % similar 2-Chlorophenylboronic acid3900-89-859 % similar 2,3,5-Trichlorophenylboronic acid212779-19-657 % similar (5-Chloro-2-hydroxyphenyl)boronic Acid (contains varying amounts of Anhydride)89488-25-557 % similar 5-Chloro-2-methylphenylboronic acid148839-33-255 % similar (5-Chloro-2-fluoro-phenyl)boronic acid352535-83-255 % 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 3,5-Dichlorophenylboronic acid67492-50-6 2,6-Dichlorobenzeneboronic acid73852-17-2

Elsewhere

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