3-Fluoro-5-(isobutoxy)benzeneboronic acid

C₁₀H₁₄BFO₃CAS 850589-57-0212.03 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Ether

Properties

Molecular formula: C₁₀H₁₄BFO₃
Molar mass: 212.03 g/mol
Exact mass: 212.1020 Da
logP: 0.54Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

850589-57-0

SMILES

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

InChIKey

KLKWZMKGTIQLOG-UHFFFAOYSA-N

InChI

InChI=1S/C10H14BFO3/c1-7(2)6-15-10-4-8(11(13)14)3-9(12)5-10/h3-5,7,13-14H,6H2,1-2H3

Weigh it out

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Names and synonyms

1 names

3-Fluoro-5-isobutoxyphenylboronic acid

Work with 3-Fluoro-5-(isobutoxy)benzeneboronic 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-5-methoxyphenylboronic acid609807-25-259 % similar B-[3-Fluoro-5-(phenylmethoxy)phenyl]boronic acid850589-56-955 % similar (3,5-Difluorophenyl)boronic acid156545-07-252 % similar 3-Fluoro-5-methylbenzeneboronic acid850593-06-547 % similar B-(3-Fluoro-5-hydroxyphenyl)boronic acid871329-82-745 % similar 3-Chloro-5-fluorophenylboronic acid328956-61-244 % similar B-(3-Cyano-5-fluorophenyl)boronic acid304858-67-140 % similar (4-Isobutylphenyl)boronic acid153624-38-540 % similar

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

Same formula

4-Fluoro-5-isopropyl-2-methoxyphenylboronic acid875446-29-0

Elsewhere

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