2-Methoxy-5-(trifluoromethyl)phenylboronic acid

C₈H₈BF₃O₃CAS 240139-82-6219.95 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

240139-82-6

SMILES

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

InChIKey

PXDQUMRSSQYJSX-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

2-Methoxy-5-trifluoromethylphenylboronic acid

Work with 2-Methoxy-5-(trifluoromethyl)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

5-Fluoro-2-methoxyphenylboronic acid179897-94-059 % similar 2,5-Dimethoxyphenylboronic acid107099-99-058 % similar 2-Methoxy-5-(trifluoromethyl)aniline349-65-557 % similar 2-Fluoro-5-(trifluoromethyl)phenylboronic acid352535-96-757 % similar 5-Bromo-2-methoxyphenylboronic acid89694-45-155 % similar 5-Chloro-2-methoxyphenylboronic acid89694-48-455 % similar 2,4-Bis(trifluoromethyl)phenylboronic acid153254-09-254 % similar 5-Isopropyl-2-methoxyphenylboronic acid216393-63-453 % 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-4-(trifluoromethyl)phenyl)boronic acid312936-89-3 4-Methoxy-2-(trifluoromethyl)phenylboronic acid313546-16-6

Elsewhere

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