chempirical

2-Chloro-5-(trifluoromethyl)phenylboronic acid

C7H5BClF3O2CAS 182344-18-9224.37 g/mol

Open in Covalent MOL file
BFFFClHOHO
Alkyl halideAryl halideBoronic acid

Properties

Molecular formula
C7H5BClF3O2
Molar mass
224.37 g/mol
Exact mass
224.0023 Da
logP
1.04Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
182344-18-9
SMILES
B(C1=C(C=CC(=C1)C(F)(F)F)Cl)(O)O
InChIKey
YVMXEHZEYONARR-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BClF3O2/c9-6-2-1-4(7(10,11)12)3-5(6)8(13)14/h1-3,13-14H

Weigh it out

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

Work with 2-Chloro-5-(trifluoromethyl)phenylboronic 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-Fluoro-5-(trifluoromethyl)phenylboronic acid352535-96-762 % similar 2,4-Bis(trifluoromethyl)phenylboronic acid153254-09-259 % similar 3,4-Dichlorobenzotrifluoride328-84-758 % similar 2-Chloro-5-(trifluoromethyl)pyridine-3-boronic acid536693-96-653 % similar 2-Chloro-5-(trifluoromethyl)aniline121-50-651 % similar 3-Trifluoromethylphenylboronic acid1423-26-351 % similar 3-Bromo-4-chlorobenzotrifluoride454-78-451 % similar 4-Chloro-3-iodobenzotrifluoride672-57-151 % similar

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

Same formula

4-Chloro-3-(trifluoromethyl)benzeneboronic acid176976-42-4

Elsewhere

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