4-Benzyloxy-2-fluorophenylboronic acid

C₁₃H₁₂BFO₃CAS 166744-78-1246.04 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Ether

Properties

Molecular formula: C₁₃H₁₂BFO₃
Molar mass: 246.04 g/mol
Exact mass: 246.0864 Da
logP: 1.08Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Identifiers

CAS number

166744-78-1

SMILES

B(C1=C(C=C(C=C1)OCC2=CC=CC=C2)F)(O)O

InChIKey

PQWKGFALWCOVTC-UHFFFAOYSA-N

InChI

InChI=1S/C13H12BFO3/c15-13-8-11(6-7-12(13)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2

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Work with 4-Benzyloxy-2-fluorophenylboronic 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-Benzyloxyphenylboronic acid156682-54-156 % similar 1-Fluoro-4-(phenylmethoxy)benzene370-78-549 % similar Hydroquinone dibenzyl ether621-91-049 % similar Benzyl 2-naphthyl ether613-62-748 % similar 2,4-Difluorophenylboronic acid144025-03-646 % similar 3-(Phenylmethoxy)benzenemethanol1700-30-745 % similar B-(2-Fluoro-4-iodophenyl)boronic acid374790-98-444 % similar 4-(Benzyloxy)benzyl alcohol836-43-144 % similar

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

Same formula

4-Benzyloxy-3-fluorophenylboronic Acid133057-83-7 (2-Benzyloxy-4-fluorophenyl)boronic acid848779-87-3 B-[3-Fluoro-5-(phenylmethoxy)phenyl]boronic acid850589-56-9

Elsewhere

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