2-Fluoro-6-methoxyphenylboronic acid

C₇H₈BFO₃CAS 78495-63-3169.95 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 swallowed22.2% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 9 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

78495-63-3

SMILES

B(C1=C(C=CC=C1F)OC)(O)O

InChIKey

XOVMDVZAWWQSDC-UHFFFAOYSA-N

InChI

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

(2-Fluoro-6-methoxyphenyl)boronic acid

Work with 2-Fluoro-6-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

2,6-Dimethoxyphenylboronic acid23112-96-172 % similar 2,6-Difluoro-3-methoxybenzeneboronic acid870779-02-563 % similar 2,6-Difluorophenylboronic acid162101-25-962 % similar 2-Chloro-6-methoxyphenylboronic acid385370-80-962 % similar 2-Fluoro-6-methoxyphenol73943-41-656 % similar 2-Fluoroanisole321-28-855 % similar 1,2-Difluoro-3-methoxybenzene134364-69-555 % similar 2-Fluoro-6-hydroxyphenylboronic acid1256345-60-453 % 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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