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

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-Difluorophenyl)boronic acid168267-41-264 % similar B-(3-Chloro-4-methylphenyl)boronic acid175883-63-356 % similar B-[4-Fluoro-3-(trifluoromethyl)phenyl]boronic acid182344-23-653 % similar 3-Chloro-4-fluorophenol2613-23-252 % similar 4-Fluoro-3-methoxyphenylboronic acid854778-31-751 % similar 2,4-Dichlorofluorobenzene1435-48-950 % similar 2-Chloro-1-fluoro-4-methylbenzene1513-25-348 % similar 3-Fluorophenylboronic acid768-35-448 % 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-3-fluorophenyl)boronic acid871329-52-1

Elsewhere

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