chempirical

2,3,4-Trifluorobenzeneboronic acid

C6H4BF3O2CAS 226396-32-3175.90 g/mol

Open in Covalent MOL file
BFFFHOHO
Aryl halideBoronic 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 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
226396-32-3
SMILES
B(C1=C(C(=C(C=C1)F)F)F)(O)O
InChIKey
CLGIPVVEERQWSQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BF3O2/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,11-12H

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Names and synonyms

1 names
  • 2,3,4-Trifluorophenylboronic acid

Work with 2,3,4-Trifluorobenzeneboronic 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-Difluorophenyl)boronic acid121219-16-767 % similar (2,4-Difluoro-3-formylphenyl)boronic acid870718-06-259 % similar [4-Bromo-2,3-difluorophenyl]boronic acid374790-99-559 % similar 1,2,3,4-Tetrafluorobenzene551-62-255 % similar B-(4-Fluoro-1-naphthalenyl)boronic acid182344-25-853 % similar 2,3-Difluoro-4-methoxyphenylboronic acid170981-41-653 % similar 2,4-Difluorophenylboronic acid144025-03-650 % similar 2,5-Difluorophenylboronic acid193353-34-350 % 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 2,3,6-Trifluorophenylboronic acid247564-71-2 (2,4,5-Trifluorophenyl)boronic acid247564-72-3 2,3,5-Trifluorophenylboronic acid247564-73-4

Elsewhere

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