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

Hazards

Danger

H301 Toxic if swallowed100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

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

Weigh it out

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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

(2-Chloro-5-methoxyphenyl)boronic acid89694-46-259 % similar 3-(Trifluoromethoxy)phenylboronic Acid (contains varying amounts of Anhydride)179113-90-755 % similar 2-Chloro-5-(trifluoromethyl)phenylboronic acid182344-18-955 % similar 4-Trifluoromethoxyphenylboronic acid139301-27-253 % similar 2-Chloro-5-fluorobenzeneboronic acid444666-39-151 % similar 2-Chloro-4-(trifluoromethoxy)aniline69695-61-051 % similar 2,5-Dichlorobenzeneboronic acid135145-90-350 % similar 2-Chloro-5-methylphenylboronic acid193353-35-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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