chempirical

2,4-Difluorophenylboronic acid

C6H5BF2O2CAS 144025-03-6157.91 g/mol

Open in Covalent MOL file
HOBHOFF
Aryl halideBoronic acid

Properties

Molecular formula
C6H5BF2O2
Molar mass
157.91 g/mol
Exact mass
158.0351 Da
logP
-0.36Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
144025-03-6
SMILES
OB(O)c1ccc(F)cc1F
InChIKey
QQLRSCZSKQTFGY-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BF2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H

Weigh it out

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

Names and synonyms

5 names
  • Boronic acid, B-(2,4-difluorophenyl)-
  • Boronic acid, (2,4-difluorophenyl)-
  • B-(2,4-Difluorophenyl)boronic acid
  • 2,4-Difluorobenzeneboronic acid
  • 2,4-Difluorophenyl-1-boronic acid

Work with 2,4-Difluorophenylboronic 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-Fluoro-2-methylphenyl)boronic acid139911-29-860 % similar B-(2-Fluoro-4-iodophenyl)boronic acid374790-98-460 % similar B-(2-Fluoro-4-formylphenyl)boronic acid871126-22-659 % similar 2,3,5-Trifluorophenylboronic acid247564-73-457 % similar B-[4-Fluoro-2-(trifluoromethyl)phenyl]boronic acid182344-16-756 % similar (2,4,5-Trifluorophenyl)boronic acid247564-72-356 % similar 5-Fluoro-2-methylphenylboronic acid163517-62-255 % similar (2,4,6-Trifluorophenyl)boronic acid182482-25-354 % similar

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

Same formula

(2,3-Difluorophenyl)boronic acid121219-16-7 (3,5-Difluorophenyl)boronic acid156545-07-2 2,6-Difluorophenylboronic acid162101-25-9 (3,4-Difluorophenyl)boronic acid168267-41-2

Elsewhere

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