(5-Bromo-2-fluorophenyl)boronic acid

C₆H₅BBrFO₂CAS 112204-57-6218.82 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

Identifiers

CAS number

112204-57-6

SMILES

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

InChIKey

IGBDPRKNAFOOGY-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

5-Bromo-2-fluorobenzeneboronic acid 98

Work with (5-Bromo-2-fluorophenyl)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

1-Bromo-3,4-difluorobenzene348-61-854 % similar 2-Fluoro-5-(trifluoromethyl)phenylboronic acid352535-96-753 % similar (2,4,5-Trifluorophenyl)boronic acid247564-72-352 % similar 5-Bromo-2-fluorophenol112204-58-752 % similar 2-Fluoro-5-methoxyphenylboronic acid406482-19-751 % similar 5-Bromo-2-methoxyphenylboronic acid89694-45-151 % similar 2,4-Dibromo-1-fluorobenzene1435-53-650 % similar 3-Borono-4-fluorobenzoic acid874219-59-749 % similar

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

Same formula

B-(2-Bromo-6-fluorophenyl)boronic acid913835-80-0

Elsewhere

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