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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 (2-Chloro-5-methoxyphenyl)boronic acid89694-46-260 % similar 2,4-Dimethoxybenzeneboronic acid133730-34-459 % similar 1,2-Difluoro-4-methoxybenzene115144-40-658 % similar (4-Methoxy-2-methylphenyl)boronic acid208399-66-057 % similar 2-Fluoro-5-methylphenylboronic acid166328-16-156 % similar 2 6-Difluoro-4-methoxyphenylboronic acid406482-20-056 % similar 2-Chloro-4-methoxyphenylboronic acid219735-99-656 % 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 (4-Fluoro-2-methoxyphenyl)boronic acid179899-07-1 2-Fluoro-3-methoxyphenylboronic acid352303-67-4 4-Fluoro-3-(hydroxymethyl)benzeneboronic acid481681-02-1 3-Fluoro-5-methoxyphenylboronic acid609807-25-2 2-Fluoro-6-methoxyphenylboronic acid78495-63-3

Elsewhere

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