B-(4-Ethoxy-2,3-difluorophenyl)boronic acid

C₈H₉BF₂O₃CAS 212386-71-5201.96 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Ether

Properties

Molecular formula: C₈H₉BF₂O₃
Molar mass: 201.96 g/mol
Exact mass: 202.0613 Da
Melting point: 135–136 °C
logP: 0.04Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Identifiers

CAS number

212386-71-5

SMILES

CCOc1ccc(B(O)O)c(F)c1F

InChIKey

OBKSFBWOZSQGGC-UHFFFAOYSA-N

InChI

InChI=1S/C8H9BF2O3/c1-2-14-6-4-3-5(9(12)13)7(10)8(6)11/h3-4,12-13H,2H2,1H3

Weigh it out

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

Names and synonyms

4 names

Boronic acid, B-(4-ethoxy-2,3-difluorophenyl)-
Boronic acid, (4-ethoxy-2,3-difluorophenyl)-
4-Ethoxy-2,3-difluorophenylboronic acid
(2,3-Difluoro-4-ethoxyphenyl)boronic acid

Work with B-(4-Ethoxy-2,3-difluorophenyl)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-Ethoxy-2-fluorophenylboronic acid855230-61-474 % similar 1-Hydroxy-4-ethoxy-2,3-difluorobenzene126163-56-258 % similar 2-Ethoxy-5-methylphenylboronic acid123291-97-454 % similar 5-Chloro-2-ethoxyphenylboronic acid352534-86-253 % similar 4-Ethoxy-2,3-difluorobenzonitrile126162-96-750 % similar B-(3-Ethoxy-4-fluorophenyl)boronic acid900174-65-449 % similar 1-Ethoxy-2,3-difluorobenzene121219-07-647 % similar [4-Bromo-2,3-difluorophenyl]boronic acid374790-99-546 % similar

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

Same formula

B-(3-Ethoxy-2,6-difluorophenyl)boronic acid849062-00-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook