(4-Chloro-2-fluorophenyl)boronic acid

C₆H₅BClFO₂CAS 160591-91-3174.36 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₆H₅BClFO₂
Molar mass: 174.36 g/mol
Exact mass: 174.0055 Da
logP: 0.16Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

160591-91-3

SMILES

B(C1=C(C=C(C=C1)Cl)F)(O)O

InChIKey

YBNDRTRLXPEWKQ-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BClFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H

Weigh it out

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

Names and synonyms

1 names

4-Chloro-2-fluorophenylboronic acid

Work with (4-Chloro-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

2,4-Difluorophenylboronic acid144025-03-660 % similar B-(2-Fluoro-4-iodophenyl)boronic acid374790-98-456 % similar 4-Chloro-1,2-difluorobenzene696-02-654 % similar (2,4,5-Trifluorophenyl)boronic acid247564-72-352 % similar 4-Chloro-2-fluorophenol348-62-952 % similar B-(2-Fluoro-4-formylphenyl)boronic acid871126-22-651 % similar B-(4-Chloro-2-formylphenyl)boronic acid913835-76-451 % similar (2,3-Difluorophenyl)boronic acid121219-16-750 % similar

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

Same formula

4-Chloro-3-fluorophenylboronic Acid137504-86-0 3-Chloro-4-fluorophenylboronic acid144432-85-9 2-Chloro-6-fluorophenylboronic acid313545-32-3 (2-Chloro-3-fluorophenyl)boronic acid871329-52-1

Elsewhere

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