2-Benzyloxy-5-fluorophenylboronic acid

C₁₃H₁₂BFO₃CAS 779331-47-4246.04 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Ether

Properties

Molecular formula: C₁₃H₁₂BFO₃
Molar mass: 246.04 g/mol
Exact mass: 246.0864 Da
logP: 1.08Crippen 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

779331-47-4

SMILES

B(C1=C(C=CC(=C1)F)OCC2=CC=CC=C2)(O)O

InChIKey

ULIJNMCAPASXHA-UHFFFAOYSA-N

InChI

InChI=1S/C13H12BFO3/c15-11-6-7-13(12(8-11)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2

Weigh it out

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

Work with 2-Benzyloxy-5-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

2-(Benzyloxy)-5-(trifluoromethyl)phenylboronic acid612833-41-765 % similar 2-Benzyloxyphenylboronic acid190661-29-165 % similar 5-Fluoro-2-methoxyphenylboronic acid179897-94-055 % similar 4-Benzyloxy-3-methylphenylboronic Acid (contains varying amounts of Anhydride)338454-30-151 % similar 4-Benzyloxy-3-chlorophenylboronic acid845551-44-251 % similar 1-Fluoro-4-(phenylmethoxy)benzene370-78-549 % similar 4-Benzyloxy-2-methylphenylboronic acid847560-49-048 % similar 2-Ethoxy-4-fluorophenylboronic Acid (contains varying amounts of Anhydride)480438-58-248 % similar

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

Same formula

4-Benzyloxy-3-fluorophenylboronic Acid133057-83-7 4-Benzyloxy-2-fluorophenylboronic acid166744-78-1 (2-Benzyloxy-4-fluorophenyl)boronic acid848779-87-3 B-[3-Fluoro-5-(phenylmethoxy)phenyl]boronic acid850589-56-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook