3-Ethoxy-2-fluorophenylboronic acid

C₈H₁₀BFO₃CAS 855230-61-4183.97 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Ether

Properties

Molecular formula: C₈H₁₀BFO₃
Molar mass: 183.97 g/mol
Exact mass: 184.0707 Da
logP: -0.10Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Identifiers

CAS number

855230-61-4

SMILES

CCOc1cccc(B(O)O)c1F

InChIKey

DCUXBPVUKGENEJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H10BFO3/c1-2-13-7-5-3-4-6(8(7)10)9(11)12/h3-5,11-12H,2H2,1H3

Weigh it out

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

Names and synonyms

3 names

Boronic acid, B-(3-ethoxy-2-fluorophenyl)-
Boronic acid, (3-ethoxy-2-fluorophenyl)-
B-(3-Ethoxy-2-fluorophenyl)boronic acid

Work with 3-Ethoxy-2-fluorophenylboronic 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

B-(4-Ethoxy-2,3-difluorophenyl)boronic acid212386-71-574 % similar 2-Fluoro-3-methoxyphenylboronic acid352303-67-464 % similar B-(3-Ethoxy-2,6-difluorophenyl)boronic acid849062-00-659 % similar 1-Ethoxy-2,3-difluorobenzene121219-07-658 % similar 5-Chloro-2-ethoxyphenylboronic acid352534-86-251 % similar (2,3-Difluorophenyl)boronic acid121219-16-750 % similar 2-Ethoxy-5-methylphenylboronic acid123291-97-449 % similar 1-Hydroxy-4-ethoxy-2,3-difluorobenzene126163-56-249 % similar

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

Same formula

B-(3-Ethoxy-4-fluorophenyl)boronic acid900174-65-4

Elsewhere

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