(3,5-Difluoro-4-methoxyphenyl)boronic acid

C₇H₇BF₂O₃CAS 208641-98-9187.94 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

Identifiers

CAS number

208641-98-9

SMILES

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

InChIKey

JJRIEFCRGWHLES-UHFFFAOYSA-N

InChI

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

3,5-Difluoro-4-methoxy-phenylboronic acid

Work with (3,5-Difluoro-4-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

3-Fluoro-4-methoxybenzeneboronic acid149507-26-661 % similar 3,4,5-Trimethoxybenzeneboronic acid182163-96-860 % similar 3,5-Dimethyl-4-methoxybenzeneboronic acid301699-39-858 % similar 4-Fluoro-3-methoxyphenylboronic acid854778-31-756 % similar (3,4,5-Trifluorophenyl)boronic acid143418-49-955 % similar 3,5-Dimethoxyphenylboronic acid192182-54-053 % similar 4-Bromo-2,6-difluoroanisole104197-14-052 % similar 3,5-Difluoro-4-methoxyaniline363-47-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,3-Difluoro-4-methoxyphenylboronic acid170981-41-6

Elsewhere

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