4-Trifluoromethoxyphenylboronic acid

C₇H₆BF₃O₃CAS 139301-27-2205.93 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

139301-27-2

SMILES

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

InChIKey

HUOFUOCSQCYFPW-UHFFFAOYSA-N

InChI

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

4-(Trifluoromethoxy)phenylboronic acid

Work with 4-Trifluoromethoxyphenylboronic 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

4-(Trifluoromethoxy)phenol828-27-355 % similar 2-Chloro-5-(trifluoromethoxy)phenylboronic acid1022922-16-253 % similar 1-Fluoro-4-(trifluoromethoxy)benzene352-67-052 % similar 1-Iado-4-(trifluoromethoxy)benzene103962-05-650 % similar 4-(Trifluoromethyl)phenylboronic acid128796-39-450 % similar 4-(Trifluoromethoxy)thiophenol169685-29-450 % similar 4-(Trifluoromethoxy)benzenemethanol1736-74-950 % similar 1-Bromo-4-(trifluoromethoxy)benzene407-14-750 % similar

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

Same formula

2-(Trifluoromethoxy)phenylboronic Acid (contains varying amounts of Anhydride)175676-65-0 3-(Trifluoromethoxy)phenylboronic Acid (contains varying amounts of Anhydride)179113-90-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook