(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

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H315 Causes skin irritation91.7% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 12 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 2,4-Dichlorophenylboronic acid68716-47-260 % similar 2-Fluoro-4-methylphenylboronic acid170981-26-756 % similar (4-Chloro-2-methylphenyl)boronic acid209919-30-256 % similar 4-Bromo-2-fluorobenzeneboronic acid216393-64-556 % similar B-(2-Fluoro-4-iodophenyl)boronic acid374790-98-456 % similar 2,5-Dichlorobenzeneboronic acid135145-90-355 % similar 4-Chloro-1,2-difluorobenzene696-02-654 % 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-4-fluorobenzeneboronic acid313545-72-1 3-Chloro-5-fluorophenylboronic acid328956-61-2 3-Chloro-2-fluorophenylboronic acid352535-82-1 (5-Chloro-2-fluoro-phenyl)boronic acid352535-83-2 2-Chloro-5-fluorobenzeneboronic acid444666-39-1

Elsewhere

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