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

C₇H₆BF₃O₃CAS 175676-65-0205.93 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

175676-65-0

SMILES

B(C1=CC=CC=C1OC(F)(F)F)(O)O

InChIKey

AIJCNTOYZPKURP-UHFFFAOYSA-N

InChI

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

2-(Trifluormethoxy)phenylboronic acid

Work with 2-(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

2-Trifluoromethoxyphenol32858-93-853 % similar 2-Methoxyphenylboronic acid5720-06-953 % similar 1-Fluoro-2-(trifluoromethoxy)benzene2106-18-552 % similar (2-Phenoxyphenyl)boronic acid108238-09-152 % similar 2-Isopropoxyphenylboronic acid138008-97-649 % similar 2-(Trifluoromethoxy)benzenemethanol175278-07-649 % similar (2-Ethoxyphenyl)boronic acid213211-69-949 % similar 2-Trifluoromethylphenylboronic acid1423-27-448 % similar

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

Same formula

4-Trifluoromethoxyphenylboronic acid139301-27-2 3-(Trifluoromethoxy)phenylboronic Acid (contains varying amounts of Anhydride)179113-90-7

Elsewhere

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