(2,4-Difluoro-3-formylphenyl)boronic acid

C₇H₅BF₂O₃CAS 870718-06-2185.92 g/mol

Open in Covalent MOL file

Alcohol Aldehyde Halogen

Properties

Molecular formula: C₇H₅BF₂O₃
Molar mass: 185.92 g/mol
Exact mass: 186.0300 Da
Melting point: 225–230 °C
logP: -0.54Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

870718-06-2

SMILES

O=Cc1c(F)ccc(B(O)O)c1F

InChIKey

PVAWONNALJEQJH-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BF2O3/c9-6-2-1-5(8(12)13)7(10)4(6)3-11/h1-3,12-13H

Weigh it out

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Names and synonyms

4 names

Boronic acid, B-(2,4-difluoro-3-formylphenyl)-
Boronic acid, (2,4-difluoro-3-formylphenyl)-
B-(2,4-Difluoro-3-formylphenyl)boronic acid
2,4-Difluoro-3-formylbenzeneboronic acid

Work with (2,4-Difluoro-3-formylphenyl)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

Elsewhere

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