chempirical

2,3,5-Trichlorophenylboronic acid

C6H4BCl3O2CAS 212779-19-6225.26 g/mol

Open in Covalent MOL file
BClClClHOHO
Aryl halideBoronic acid

Properties

Molecular formula
C6H4BCl3O2
Molar mass
225.26 g/mol
Exact mass
223.9370 Da
logP
1.33Crippen 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
212779-19-6
SMILES
B(C1=CC(=CC(=C1Cl)Cl)Cl)(O)O
InChIKey
OPBCCRZCYTUJMS-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BCl3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,11-12H

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Names and synonyms

1 names
  • 2,3,5-Trichlorobenzeneboronic acid

Work with 2,3,5-Trichlorophenylboronic 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

(2,3-Dichlorophenyl)boronic acid151169-74-359 % similar 2,5-Dichlorobenzeneboronic acid135145-90-357 % similar 2,4-Dichlorophenylboronic acid68716-47-257 % similar 1,2,3,5-Tetrachlorobenzene634-90-256 % similar 2,3,5-Trichlorophenol933-78-850 % similar 2-Chlorophenylboronic acid3900-89-847 % similar (5-Chloro-2-hydroxyphenyl)boronic Acid (contains varying amounts of Anhydride)89488-25-545 % similar 1-Bromo-2,3,5-trichlorobenzene81067-38-145 % similar

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

Same formula

B-(2,3,4-Trichlorophenyl)boronic acid352530-21-3 2,4,6-Trichlorobenzeneboronic acid73852-18-3 (3,4,5-Trichlorophenyl)boronic acid862248-93-9

Elsewhere

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