4-Bromo-3-fluorobenzeneboronic acid

C₆H₅BBrFO₂CAS 374790-97-3218.82 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₆H₅BBrFO₂
Molar mass: 218.82 g/mol
Exact mass: 217.9550 Da
logP: 0.27Crippen 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

374790-97-3

SMILES

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

InChIKey

ACLQPRPXJMWADE-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BBrFO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H

Weigh it out

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Work with 4-Bromo-3-fluorobenzeneboronic 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

(3,4-Difluorophenyl)boronic acid168267-41-264 % similar 3-Fluoro-4-hydroxybenzeneboronic acid182344-14-558 % similar 4-Chloro-3-fluorophenylboronic Acid137504-86-056 % similar 3-Fluoro-4-methylphenylboronic acid168267-99-056 % similar 4-Bromo-3-fluorophenol121219-03-252 % similar 4-Fluoro-3-methylphenylboronic acid139911-27-652 % similar 3-Chloro-4-fluorophenylboronic acid144432-85-952 % similar 3-Fluoro-4-methoxybenzeneboronic acid149507-26-651 % similar

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

Same formula

(5-Bromo-2-fluorophenyl)boronic acid112204-57-6 4-Bromo-2-fluorobenzeneboronic acid216393-64-5 (3-Bromo-2-fluorophenyl)boronic acid352535-97-8 B-(2-Bromo-6-fluorophenyl)boronic acid913835-80-0

Elsewhere

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