5-Fluoro-2-methoxyphenylboronic acid

C₇H₈BFO₃CAS 179897-94-0169.95 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: 156–158 °C
logP: -0.49Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed25% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation91.7% of notifiers
H319 Causes serious eye irritation91.7% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 12 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

179897-94-0

SMILES

COc1ccc(F)cc1B(O)O

InChIKey

CCQKIRUMTHHPSX-UHFFFAOYSA-N

InChI

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

4 names

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

Work with 5-Fluoro-2-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-Methoxy-5-methylphenylboronic acid127972-00-362 % similar 5-Bromo-2-methoxyphenylboronic acid89694-45-160 % similar 5-Chloro-2-methoxyphenylboronic acid89694-48-460 % similar 2-Methoxy-5-(trifluoromethyl)phenylboronic acid240139-82-659 % similar 4-Fluoro-1,2-dimethoxybenzene398-62-958 % similar 2,3-Difluoro-4-methoxyphenylboronic acid170981-41-657 % similar 5-Isopropyl-2-methoxyphenylboronic acid216393-63-457 % 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 (4-Fluoro-2-methoxyphenyl)boronic acid179899-07-1 2-Fluoro-3-methoxyphenylboronic acid352303-67-4 2-Fluoro-5-methoxyphenylboronic acid406482-19-7 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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