(3,4,5-Trichlorophenyl)boronic acid

C₆H₄BCl₃O₂CAS 862248-93-9225.26 g/mol

Open in Covalent MOL file

Aryl halide Boronic 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 Å²
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

862248-93-9

SMILES

B(C1=CC(=C(C(=C1)Cl)Cl)Cl)(O)O

InChIKey

KTEXVCMJBYWOSG-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BCl3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,11-12H

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Names and synonyms

1 names

3,4,5-Trichlorophenylboronic acid

Work with (3,4,5-Trichlorophenyl)boronic 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 acid151169-75-464 % similar 3-Chloro-4-hydroxyphenylboronic acid182344-13-457 % similar 3-Chloro-4-fluorophenylboronic acid144432-85-955 % similar B-(3-Chloro-4-methylphenyl)boronic acid175883-63-355 % similar 3,5-Dichlorophenylboronic acid67492-50-652 % similar 4-Chloro-3-fluorophenylboronic Acid137504-86-050 % similar (2,3-Dichlorophenyl)boronic acid151169-74-350 % similar 3-Chloro-4-methoxybenzeneboronic acid175883-60-050 % similar

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

Same formula

2,3,5-Trichlorophenylboronic acid212779-19-6 B-(2,3,4-Trichlorophenyl)boronic acid352530-21-3 2,4,6-Trichlorobenzeneboronic acid73852-18-3

Elsewhere

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