(2-Methoxy-4-(trifluoromethyl)phenyl)boronic acid

C₈H₈BF₃O₃CAS 312936-89-3219.95 g/mol

Open in Covalent MOL file

Alkyl halide Boronic acid Ether

Properties

Molecular formula: C₈H₈BF₃O₃
Molar mass: 219.95 g/mol
Exact mass: 220.0519 Da
logP: 0.39Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

312936-89-3

SMILES

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

InChIKey

UCNRYDKUBYQIOW-UHFFFAOYSA-N

InChI

InChI=1S/C8H8BF3O3/c1-15-7-4-5(8(10,11)12)2-3-6(7)9(13)14/h2-4,13-14H,1H3

Weigh it out

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

Names and synonyms

1 names

2-Methoxy-4-(trifluoromethyl)-phenylboronic acid

Work with (2-Methoxy-4-(trifluoromethyl)phenyl)boronic 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-Fluoro-2-methoxyphenyl)boronic acid179899-07-159 % similar 2,4-Dimethoxybenzeneboronic acid133730-34-458 % similar 2,4-Bis(trifluoromethyl)phenylboronic acid153254-09-258 % similar 2-Fluoro-5-(trifluoromethyl)anisole261951-78-457 % similar [2-Chloro-4-(trifluoromethyl)phenyl]boronic acid254993-59-455 % similar 2-Methoxy-5-(trifluoromethyl)aniline349-65-553 % similar 2-Fluoro-5-(trifluoromethyl)phenylboronic acid352535-96-753 % similar 2-Chloro-5-(trifluoromethyl)phenylboronic acid182344-18-951 % similar

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

Same formula

3-Trifluoromethyl-4-methoxy-phenylboronic acid149507-36-8 2-Methoxy-5-(trifluoromethyl)phenylboronic acid240139-82-6 4-Methoxy-2-(trifluoromethyl)phenylboronic acid313546-16-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook