chempirical

[4-Bromo-2,3-difluorophenyl]boronic acid

C6H4BBrF2O2CAS 374790-99-5236.81 g/mol

Open in Covalent MOL file
HOBHOBrFF
Aryl halideBoronic 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
374790-99-5
SMILES
OB(O)c1ccc(Br)c(F)c1F
InChIKey
CUTKSWXGYLUSCY-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BBrF2O2/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,11-12H

Weigh it out

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

Names and synonyms

3 names
  • Boronic acid, B-(4-bromo-2,3-difluorophenyl)-
  • Boronic acid, (4-bromo-2,3-difluorophenyl)-
  • B-(4-Bromo-2,3-difluorophenyl)boronic acid

Work with [4-Bromo-2,3-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

(2,3-Difluorophenyl)boronic acid121219-16-747 % similar B-(4-Ethoxy-2,3-difluorophenyl)boronic acid212386-71-546 % similar 4-Bromo-2,3-difluorobenzenamine112279-72-845 % similar (2,4-Difluoro-3-formylphenyl)boronic acid870718-06-243 % similar B-(2-Bromo-6-fluorophenyl)boronic acid913835-80-041 % similar 2-Fluoro-3-methoxyphenylboronic acid352303-67-441 % similar B-(2-Fluoro-3-formylphenyl)boronic acid849061-98-941 % similar (5-Bromo-2-fluorophenyl)boronic acid112204-57-640 % similar

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

Elsewhere

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