4-Chloro-3-fluorophenylboronic Acid

C₆H₅BClFO₂CAS 137504-86-0174.36 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

137504-86-0

SMILES

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

InChIKey

CMJQIHGBUKZEHP-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

4-Chloro-3-fluorobenzeneboronic acid

Work with 4-Chloro-3-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 4-Chloro-3-fluorophenol348-60-752 % similar B-(3-Chloro-4-methylphenyl)boronic acid175883-63-352 % similar B-(4-Chloro-3-methoxyphenyl)boronic acid89694-47-351 % similar (3,4,5-Trifluorophenyl)boronic acid143418-49-950 % similar 1-Chloro-2,4-difluorobenzene1435-44-550 % similar 4-Carboxy-3-fluorophenylboronic acid120153-08-449 % similar B-[4-Fluoro-3-(trifluoromethyl)phenyl]boronic acid182344-23-649 % similar

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

Same formula

3-Chloro-4-fluorophenylboronic acid144432-85-9 (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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