2,3,6-Trifluorophenylboronic acid

C₆H₄BF₃O₂CAS 247564-71-2175.90 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₆H₄BF₃O₂
Molar mass: 175.90 g/mol
Exact mass: 176.0256 Da
logP: -0.22Crippen 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

247564-71-2

SMILES

B(C1=C(C=CC(=C1F)F)F)(O)O

InChIKey

IWPDDRPLEKURGG-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BF3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,11-12H

Weigh it out

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

Work with 2,3,6-Trifluorophenylboronic 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

2,6-Difluorophenylboronic acid162101-25-960 % similar B-(3-Ethoxy-2,6-difluorophenyl)boronic acid849062-00-658 % similar (2,3-Difluorophenyl)boronic acid121219-16-752 % similar 2,3,4,5,6-Pentafluorobenzeneboronic acid1582-24-750 % similar 2-Chloro-6-fluorophenylboronic acid313545-32-350 % similar 1,2,3,4-Tetrafluorobenzene551-62-250 % similar B-(2-Bromo-6-fluorophenyl)boronic acid913835-80-050 % similar (3,4-Difluorophenyl)boronic acid168267-41-245 % similar

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

Same formula

(3,4,5-Trifluorophenyl)boronic acid143418-49-9 (2,4,6-Trifluorophenyl)boronic acid182482-25-3 2,3,4-Trifluorobenzeneboronic acid226396-32-3 (2,4,5-Trifluorophenyl)boronic acid247564-72-3 2,3,5-Trifluorophenylboronic acid247564-73-4

Elsewhere

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