2-Fluoro-5-methoxyphenylboronic acid

C₇H₈BFO₃CAS 406482-19-7169.95 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
Melting point: 195–196 °C
logP: -0.49Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

406482-19-7

SMILES

COc1ccc(F)c(B(O)O)c1

InChIKey

IPTZOWYBCLEBOE-UHFFFAOYSA-N

InChI

InChI=1S/C7H8BFO3/c1-12-5-2-3-7(9)6(4-5)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

3 names

Boronic acid, B-(2-fluoro-5-methoxyphenyl)-
Boronic acid, (2-fluoro-5-methoxyphenyl)-
B-(2-Fluoro-5-methoxyphenyl)boronic acid

Work with 2-Fluoro-5-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

2,5-Dimethoxyphenylboronic acid107099-99-064 % similar 1,2-Difluoro-4-methoxybenzene115144-40-658 % similar 1-Fluoro-2,4-dimethoxybenzene17715-70-755 % similar 1-Fluoro-4-methoxy-2-methylbenzene2338-54-753 % similar 5-Fluoro-2-methoxypyridine-4-boronic acid1043869-98-253 % similar (5-Bromo-2-fluorophenyl)boronic acid112204-57-651 % similar 3-Bromo-4-fluoroanisole1161497-23-951 % similar 2-Fluoro-4-methoxyphenol167683-93-451 % similar

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

Same formula

5-Fluoro-2-methoxyphenylboronic acid179897-94-0 2-Fluoro-3-methoxyphenylboronic acid352303-67-4 4-Fluoro-3-methoxyphenylboronic acid854778-31-7

Elsewhere

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