4-Bromo-2,6-difluorophenylboronic acid

C₆H₄BBrF₂O₂CAS 352535-81-0236.81 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₆H₄BBrF₂O₂
Molar mass: 236.81 g/mol
Exact mass: 235.9456 Da
logP: 0.41Crippen 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

352535-81-0

SMILES

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

InChIKey

QHYNAULNEIXXPC-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BBrF2O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,11-12H

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Names and synonyms

1 names

4-Bromo-2 6-difluorophenylboronic acid

Work with 4-Bromo-2,6-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

(2,4,6-Trifluorophenyl)boronic acid182482-25-362 % similar 4-Bromo-2-fluorobenzeneboronic acid216393-64-557 % similar 4-Bromo-2,6-difluorophenol104197-13-952 % similar 2,6-Difluorophenylboronic acid162101-25-952 % similar (5-Bromo-2-fluorophenyl)boronic acid112204-57-652 % similar 2 6-Difluoro-4-methoxyphenylboronic acid406482-20-052 % similar 1,4-Dibromo-3,5-difluorobenzene128259-71-250 % similar 5-Bromo-1,2,3-trifluorobenzene138526-69-950 % similar

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

Same formula

[4-Bromo-2,3-difluorophenyl]boronic acid374790-99-5

Elsewhere

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