3-Trifluoromethyl-4-methoxy-phenylboronic acid

C₈H₈BF₃O₃CAS 149507-36-8219.95 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

149507-36-8

SMILES

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

InChIKey

BUSMBMGODABSIN-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

4-Methoxy-3-(trifluoromethyl)benzeneboronic acid

Work with 3-Trifluoromethyl-4-methoxy-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

3,4-Dimethoxyphenylboronic acid122775-35-362 % similar B-[4-Fluoro-3-(trifluoromethyl)phenyl]boronic acid182344-23-657 % similar 4-Fluoro-3-methoxyphenylboronic acid854778-31-755 % similar B-(4-Chloro-3-methoxyphenyl)boronic acid89694-47-351 % similar (3-Formyl-4-methoxyphenyl)boronic acid121124-97-851 % similar 4-Methoxy-3-trifluoromethylbenzonitrile261951-87-551 % similar 4-(Bromomethyl)-1-methoxy-2-(trifluoromethyl)benzene261951-89-751 % similar 4-Methoxy-3-(trifluoromethyl)benzaldehyde50823-87-551 % similar

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

Elsewhere

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