chempirical

(5-Chloro-2-fluoro-phenyl)boronic acid

C6H5BClFO2CAS 352535-83-2174.36 g/mol

Open in Covalent MOL file
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

Identifiers

CAS number
352535-83-2
SMILES
B(C1=C(C=CC(=C1)Cl)F)(O)O
InChIKey
GGTUVWGMCFXUAS-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BClFO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H

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Names and synonyms

1 names
  • 5-Chloro-2-fluorophenylboronic acid

Work with (5-Chloro-2-fluoro-phenyl)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

2,5-Dichlorobenzeneboronic acid135145-90-360 % similar 2,5-Difluorophenylboronic acid193353-34-360 % similar (5-Bromo-2-fluorophenyl)boronic acid112204-57-656 % similar 5-Chloro-2-methylphenylboronic acid148839-33-256 % similar 2-Fluoro-5-methylphenylboronic acid166328-16-156 % similar 4-Chloro-1,2-difluorobenzene696-02-654 % similar 2-Fluoro-5-(trifluoromethyl)phenylboronic acid352535-96-753 % similar (2,4,5-Trifluorophenyl)boronic acid247564-72-352 % 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-5-fluorophenylboronic acid328956-61-2 3-Chloro-2-fluorophenylboronic acid352535-82-1 2-Chloro-5-fluorobenzeneboronic acid444666-39-1

Elsewhere

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