(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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 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

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-Ethoxy-4-fluorophenylboronic Acid (contains varying amounts of Anhydride)480438-58-264 % similar 2,4-Dimethoxybenzeneboronic acid133730-34-464 % similar 4-Chloro-2-methoxyphenylboronic acid762287-57-060 % similar (2-Methoxy-4-(trifluoromethyl)phenyl)boronic acid312936-89-359 % similar 2,4-Difluorophenylboronic acid144025-03-659 % similar 4-Fluoro-1,2-dimethoxybenzene398-62-958 % similar 2,3-Difluoro-4-methoxyphenylboronic acid170981-41-657 % similar (4-Fluoro-2-methylphenyl)boronic acid139911-29-856 % 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-(hydroxymethyl)benzeneboronic acid481681-02-1 3-Fluoro-5-methoxyphenylboronic acid609807-25-2 2-Fluoro-6-methoxyphenylboronic acid78495-63-3

Elsewhere

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