3-Chloro-4-fluorophenylboronic acid

C₆H₅BClFO₂CAS 144432-85-9174.36 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

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

144432-85-9

SMILES

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

InChIKey

WJDZZXIDQYKVDG-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3-Chloro-4-fluorophenylboronic Acid (contains varying amounts of Anhydride)

Work with 3-Chloro-4-fluorophenylboronic 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-Dichlorobenzeneboronic acid151169-75-464 % similar (3,4-Difluorophenyl)boronic acid168267-41-264 % similar 3-Chloro-4-hydroxyphenylboronic acid182344-13-458 % similar 4-Fluoro-3-methylphenylboronic acid139911-27-656 % similar 3-Chloro-4-methylphenylboronic acid175883-63-356 % similar 3-Chloro-4-(trifluoromethyl)phenylboronic acid847756-88-156 % similar (3,4,5-Trichlorophenyl)boronic acid862248-93-955 % similar 3-Fluoro-4-hydroxybenzeneboronic acid182344-14-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-3-fluorophenylboronic Acid137504-86-0 (4-Chloro-2-fluorophenyl)boronic acid160591-91-3 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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