B-(2-Fluoro-4-iodophenyl)boronic acid

C₆H₅BFIO₂CAS 374790-98-4265.82 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₆H₅BFIO₂
Molar mass: 265.82 g/mol
Exact mass: 265.9411 Da
logP: 0.11Crippen 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

374790-98-4

SMILES

OB(O)c1ccc(I)cc1F

InChIKey

WLIKCRRAILNHLS-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BFIO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,10-11H

Weigh it out

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Names and synonyms

4 names

Boronic acid, B-(2-fluoro-4-iodophenyl)-
Boronic acid, (2-fluoro-4-iodophenyl)-
(2-Fluoro-4-iodophenyl)boronic acid
2-Fluoro-4-iodophenylboronic acid

Work with B-(2-Fluoro-4-iodophenyl)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

2,4-Difluorophenylboronic acid144025-03-660 % similar (4-Chloro-2-fluorophenyl)boronic acid160591-91-356 % similar 2-Fluoro-4-methylphenylboronic acid170981-26-756 % similar 4-Bromo-2-fluorobenzeneboronic acid216393-64-556 % similar 1,2-Difluoro-4-iodobenzene64248-58-454 % similar 3-Fluoro-4-biphenylboronic acid409108-13-053 % similar 2-Fluoro-4-(trifluoromethyl)benzeneboronic acid503309-11-353 % similar 2,4,5-Trifluorophenylboronic acid247564-72-352 % similar

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

Elsewhere

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