2,3-Difluoro-4-methoxyphenylboronic acid

C₇H₇BF₂O₃CAS 170981-41-6187.94 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Ether

Properties

Molecular formula: C₇H₇BF₂O₃
Molar mass: 187.94 g/mol
Exact mass: 188.0456 Da
logP: -0.35Crippen 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 irritation50% of notifiers

Aggregated from 2 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

170981-41-6

SMILES

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

InChIKey

HIWYFMBSFSTYGU-UHFFFAOYSA-N

InChI

InChI=1S/C7H7BF2O3/c1-13-5-3-2-4(8(11)12)6(9)7(5)10/h2-3,11-12H,1H3

Weigh it out

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

Names and synonyms

1 names

2,3-Difluoro-4-methoxybenzeneboronic acid

Work with 2,3-Difluoro-4-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-Fluoro-3-methoxyphenylboronic acid352303-67-472 % similar B-(4-Ethoxy-2,3-difluorophenyl)boronic acid212386-71-563 % similar 2,3,4-Trimethoxybenzeneboronic acid118062-05-858 % similar 5-Fluoro-2-methoxyphenylboronic acid179897-94-057 % similar (4-Fluoro-2-methoxyphenyl)boronic acid179899-07-157 % similar 2,3-Difluoro-4-methoxyphenol261763-29-555 % similar 2,3,4-Trifluoroanisole203245-16-353 % similar 2,3,4-Trifluorobenzeneboronic acid226396-32-353 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(3,5-Difluoro-4-methoxyphenyl)boronic acid208641-98-9 2 6-Difluoro-4-methoxyphenylboronic acid406482-20-0 2,6-Difluoro-3-methoxybenzeneboronic acid870779-02-5

Elsewhere

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