2-Chloro-5-(trifluoromethoxy)phenylboronic acid

C₇H₅BClF₃O₃CAS 1022922-16-2240.37 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Boronic acid Ether

Properties

Molecular formula: C₇H₅BClF₃O₃
Molar mass: 240.37 g/mol
Exact mass: 239.9972 Da
logP: 0.92Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

1022922-16-2

SMILES

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

InChIKey

BAEHYECKXGVYKR-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BClF3O3/c9-6-2-1-4(15-7(10,11)12)3-5(6)8(13)14/h1-3,13-14H

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Names and synonyms

1 names

2-Chloro-5-trifluoromethoxyphenylboronic acid

Work with 2-Chloro-5-(trifluoromethoxy)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

1-Chloro-4-(trifluoromethoxy)benzene461-81-444 % similar 2,6-Dichloro-4-(trifluoromethoxy)benzenamine99479-66-044 % similar 3-(Trifluoromethoxy)fluorobenzene1077-01-642 % similar 3-Borono-4-chlorobenzoic acid913835-75-342 % similar 3-(Trifluoromethoxy)benzenethiol220239-66-741 % similar 4-(Trifluoromethoxy)phenol828-27-341 % similar 3-(Trifluoromethoxy)aniline1535-73-540 % similar 1-Bromo-3-(trifluoromethoxy)benzene2252-44-040 % similar

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

Elsewhere

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