3-Fluoro-4-methoxybenzeneboronic acid

C₇H₈BFO₃CAS 149507-26-6169.95 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 swallowed25% of notifiers
H312 Harmful in contact with skin12.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled12.5% of notifiers
H335 May cause respiratory irritation87.5% of notifiers

Aggregated from 8 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

149507-26-6

SMILES

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

InChIKey

IILGLPAJXQMKGQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H8BFO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,10-11H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

3-Fluoro-4-methoxyphenylboronic acid

Work with 3-Fluoro-4-methoxybenzeneboronic 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

4-Fluoro-3-methoxyphenylboronic acid854778-31-781 % similar 3,4-Dimethoxyphenylboronic acid122775-35-373 % similar 4-Ethoxy-3-fluorophenylboronic acid279263-10-464 % similar (3,4-Difluorophenyl)boronic acid168267-41-263 % similar (4-Methoxy-3-methylphenyl)boronic acid175883-62-262 % similar (3,5-Difluoro-4-methoxyphenyl)boronic acid208641-98-961 % similar 3-Fluoro-4-propoxyphenylboronic acid192376-68-461 % similar 3-Chloro-4-methoxybenzeneboronic acid175883-60-060 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(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 2-Fluoro-6-methoxyphenylboronic acid78495-63-3

Elsewhere

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