4-Fluoro-3-methoxyphenylboronic acid

C₇H₈BFO₃CAS 854778-31-7169.95 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Ether

Properties

Molecular formula: C₇H₈BFO₃
Molar mass: 169.95 g/mol
Exact mass: 170.0551 Da
logP: -0.49Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

854778-31-7

SMILES

COc1cc(B(O)O)ccc1F

InChIKey

LUJMSRVFSBMEOY-UHFFFAOYSA-N

InChI

InChI=1S/C7H8BFO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,10-11H,1H3

Weigh it out

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

Names and synonyms

5 names

Boronic acid, B-(4-fluoro-3-methoxyphenyl)-
Boronic acid, (4-fluoro-3-methoxyphenyl)-
B-(4-Fluoro-3-methoxyphenyl)boronic acid
4-Fluoro-5-methoxyphenylboronic acid
3-Methoxy-4-fluorophenylboronic acid

Work with 4-Fluoro-3-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

3,4-Dimethoxyphenylboronic acid122775-35-368 % similar B-(3-Ethoxy-4-fluorophenyl)boronic acid900174-65-464 % similar (3,4-Difluorophenyl)boronic acid168267-41-263 % similar B-(4-Chloro-3-methoxyphenyl)boronic acid89694-47-360 % similar 1,4-Difluoro-2,5-dimethoxybenzene199866-90-555 % similar 1-Fluoro-2,4-dimethoxybenzene17715-70-755 % similar 1,4-Difluoro-2-methoxybenzene75626-17-455 % similar (4-Fluoro-3-methoxyphenyl)methanol128495-45-451 % similar

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

Same formula

3-Fluoro-4-methoxybenzeneboronic acid149507-26-6 (2-Fluoro-4-methoxyphenyl)boronic acid162101-31-7 5-Fluoro-2-methoxyphenylboronic acid179897-94-0 2-Fluoro-3-methoxyphenylboronic acid352303-67-4 2-Fluoro-5-methoxyphenylboronic acid406482-19-7

Elsewhere

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