3-(Trifluoromethoxy)phenylboronic Acid (contains varying amounts of Anhydride)

C₇H₆BF₃O₃CAS 179113-90-7205.93 g/mol

Open in Covalent MOL file

Alkyl halide Boronic acid Ether

Properties

Molecular formula: C₇H₆BF₃O₃
Molar mass: 205.93 g/mol
Exact mass: 206.0362 Da
logP: 0.26Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

179113-90-7

SMILES

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

InChIKey

UWDFWVLAHRQSKK-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BF3O3/c9-7(10,11)14-6-3-1-2-5(4-6)8(12)13/h1-4,12-13H

Weigh it out

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

Names and synonyms

1 names

3-Trifluoromethoxyphenylboronic acid

Work with 3-(Trifluoromethoxy)phenylboronic Acid (contains varying amounts of Anhydride)

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

(3-Methoxyphenyl)boronic acid10365-98-756 % similar 2-Chloro-5-(trifluoromethoxy)phenylboronic acid1022922-16-255 % similar 3-(Trifluoromethoxy)fluorobenzene1077-01-655 % similar 3-(Trifluoromethoxy)benzenethiol220239-66-753 % similar 3-Trifluoromethylphenylboronic acid1423-26-351 % similar 3-(Trifluoromethoxy)anisole142738-94-151 % similar 3-(Trifluoromethoxy)aniline1535-73-551 % similar 3-(Trifluoromethoxy)iodobenzene198206-33-651 % similar

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

Same formula

4-Trifluoromethoxyphenylboronic acid139301-27-2 2-(Trifluoromethoxy)phenylboronic Acid (contains varying amounts of Anhydride)175676-65-0

Elsewhere

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