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

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation60% of notifiers

Aggregated from 5 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

6 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
(4-Fluoro-3-methoxyphenyl)boronic 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 3-Ethoxy-4-fluorobenzeneboronic acid900174-65-464 % similar (3,4-Difluorophenyl)boronic acid168267-41-263 % similar (4-Chloro-3-methoxyphenyl)boronic acid89694-47-360 % similar (4-Methoxy-3-methylphenyl)boronic acid175883-62-257 % similar 4-Fluoro-3-methylphenylboronic acid139911-27-656 % similar (3,5-Difluoro-4-methoxyphenyl)boronic acid208641-98-956 % similar 3-Chloro-4-methoxybenzeneboronic acid175883-60-056 % 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 2-Fluoro-5-methoxyphenylboronic acid406482-19-7 4-Fluoro-3-(hydroxymethyl)benzeneboronic acid481681-02-1 3-Fluoro-5-methoxyphenylboronic acid609807-25-2

Elsewhere

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