(4-Fluoro-2-methoxyphenyl)boronic acid

C₇H₈BFO₃CAS 179899-07-1169.95 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

179899-07-1

SMILES

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

InChIKey

ADJBXDCXYMCCAD-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

4-Fluoro-2-methoxyphenylboronic acid

Work with (4-Fluoro-2-methoxyphenyl)boronic 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

2,4-Difluorophenylboronic acid144025-03-659 % similar (4-Fluoro-2-methylphenyl)boronic acid139911-29-856 % similar 4-Fluoro-2-methoxyphenol450-93-156 % similar 2,4-Difluoroanisole452-10-855 % similar 2-Methoxyphenylboronic acid5720-06-955 % similar 1,4-Difluoro-2-methoxybenzene75626-17-455 % similar 3-Methoxynaphthalene-2-boronic acid104115-76-653 % similar 5-Fluoro-2-methylphenylboronic acid163517-62-251 % 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 4-Fluoro-3-methoxyphenylboronic acid854778-31-7

Elsewhere

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