3-Chloro-5-fluorophenylboronic acid

C6H5BClFO2CAS 328956-61-2174.36 g/mol

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BClFHOHO
Aryl halideBoronic 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
328956-61-2
SMILES
B(C1=CC(=CC(=C1)Cl)F)(O)O
InChIKey
XYQDHVBKUNNLGZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BClFO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H

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Names and synonyms

1 names
  • (3-Chloro-5-fluorophenyl)boronic acid

Work with 3-Chloro-5-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

(3,5-Difluorophenyl)boronic acid156545-07-268 % similar 3,5-Dichlorophenylboronic acid67492-50-668 % similar B-(3-Fluoro-5-hydroxyphenyl)boronic acid871329-82-757 % similar 3,5-Difluorochlorobenzene1435-43-456 % similar 1,3-Dichloro-5-fluorobenzene1435-46-756 % similar 3-Fluorophenylboronic acid768-35-455 % similar 3-Fluoro-5-methylbenzeneboronic acid850593-06-555 % similar 3-Chloro-5-fluorophenol202982-70-550 % 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 (4-Chloro-2-fluorophenyl)boronic acid160591-91-3 2-Chloro-6-fluorophenylboronic acid313545-32-3 2-Chloro-4-fluorobenzeneboronic acid313545-72-1 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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