(3,4-Difluorophenyl)boronic acid

C₆H₅BF₂O₂CAS 168267-41-2157.91 g/mol

Open in Covalent MOL file

Aryl halide Boronic 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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

168267-41-2

SMILES

OB(O)c1ccc(F)c(F)c1

InChIKey

RMGYQBHKEWWTOY-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BF2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H

Weigh it out

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

Names and synonyms

4 names

Boronic acid, B-(3,4-difluorophenyl)-
Boronic acid, (3,4-difluorophenyl)-
B-(3,4-Difluorophenyl)boronic acid
3,4-Difluorobenzeneboronic acid

Work with (3,4-Difluorophenyl)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

4-Fluoro-3-methoxyphenylboronic acid854778-31-763 % similar B-[4-Fluoro-3-(trifluoromethyl)phenyl]boronic acid182344-23-660 % similar (3,4,5-Trifluorophenyl)boronic acid143418-49-958 % similar 4-Carboxy-3-fluorophenylboronic acid120153-08-455 % similar B-(4-Fluoro-3-nitrophenyl)boronic acid352530-22-453 % similar B-(3-Ethoxy-4-fluorophenyl)boronic acid900174-65-453 % similar (4-Fluorophenyl)boronic acid1765-93-150 % similar 3-Fluorophenylboronic acid768-35-450 % similar

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

Same formula

(2,3-Difluorophenyl)boronic acid121219-16-7 2,4-Difluorophenylboronic acid144025-03-6 (3,5-Difluorophenyl)boronic acid156545-07-2 2,6-Difluorophenylboronic acid162101-25-9

Elsewhere

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