4-Fluoro-5-isopropyl-2-methoxyphenylboronic acid

C₁₀H₁₄BFO₃CAS 875446-29-0212.03 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Ether

Properties

Molecular formula: C₁₀H₁₄BFO₃
Molar mass: 212.03 g/mol
Exact mass: 212.1020 Da
logP: 0.64Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

875446-29-0

SMILES

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

InChIKey

HMRRCUXJGOSJJA-UHFFFAOYSA-N

InChI

InChI=1S/C10H14BFO3/c1-6(2)7-4-8(11(13)14)10(15-3)5-9(7)12/h4-6,13-14H,1-3H3

Weigh it out

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Names and synonyms

1 names

(4-Fluoro-5-isopropyl-2-methoxyphenyl)boronic acid

Work with 4-Fluoro-5-isopropyl-2-methoxyphenylboronic 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-Isopropyl-2-methoxyphenylboronic acid216393-63-454 % similar 5-Fluoro-2-methoxyphenylboronic acid179897-94-049 % similar (4-Fluoro-2-methoxyphenyl)boronic acid179899-07-149 % similar 3-Methoxynaphthalene-2-boronic acid104115-76-646 % similar 3-Fluoro-4-methoxybenzeneboronic acid149507-26-645 % similar (2-Fluoro-4-methoxyphenyl)boronic acid162101-31-745 % similar 2-Fluoro-5-methoxyphenylboronic acid406482-19-745 % similar 4-Fluoro-3-methoxyphenylboronic acid854778-31-745 % similar

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

Same formula

3-Fluoro-5-(isobutoxy)benzeneboronic acid850589-57-0

Elsewhere

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