[2-Chloro-4-(trifluoromethyl)phenyl]boronic acid

C₇H₅BClF₃O₂CAS 254993-59-4224.37 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Boronic 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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

254993-59-4

SMILES

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

InChIKey

JKSUCAFAUNSPLO-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BClF3O2/c9-6-3-4(7(10,11)12)1-2-5(6)8(13)14/h1-3,13-14H

Weigh it out

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

Names and synonyms

1 names

2-Chloro-4-trifluoromethylphenylboronic acid

Work with [2-Chloro-4-(trifluoromethyl)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

2,4-Bis(trifluoromethyl)phenylboronic acid153254-09-264 % similar 3,4-Dichlorobenzotrifluoride328-84-758 % similar 2-Fluoro-5-(trifluoromethyl)phenylboronic acid352535-96-757 % similar 2-Chloro-4-fluorobenzeneboronic acid313545-72-156 % similar 3-Chloro-4-hydroxybenzotrifluoride35852-58-556 % similar (2-Methoxy-4-(trifluoromethyl)phenyl)boronic acid312936-89-355 % similar 3-Chloro-4-fluorobenzotrifluoride78068-85-653 % similar 3-Chloro-4-iodobenzotrifluoride141738-80-951 % similar

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

Same formula

4-Chloro-3-(trifluoromethyl)benzeneboronic acid176976-42-4 2-Chloro-5-(trifluoromethyl)phenylboronic acid182344-18-9

Elsewhere

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