(2-Benzyloxy-4-fluorophenyl)boronic acid

C₁₃H₁₂BFO₃CAS 848779-87-3246.04 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

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

848779-87-3

SMILES

OB(O)c1ccc(F)cc1OCc1ccccc1

InChIKey

IFPQNCKVOQKEIU-UHFFFAOYSA-N

InChI

InChI=1S/C13H12BFO3/c15-11-6-7-12(14(16)17)13(8-11)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.

Names and synonyms

4 names

Boronic acid, B-[4-fluoro-2-(phenylmethoxy)phenyl]-
Boronic acid, [4-fluoro-2-(phenylmethoxy)phenyl]-
B-[4-Fluoro-2-(phenylmethoxy)phenyl]boronic acid
(4-Fluoro-2-phenylmethoxyphenyl)boronic acid

Work with (2-Benzyloxy-4-fluorophenyl)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

2-Benzyloxyphenylboronic acid190661-29-165 % similar 2-Ethoxy-4-fluorophenylboronic Acid (contains varying amounts of Anhydride)480438-58-263 % similar (4-Fluoro-2-methoxyphenyl)boronic acid179899-07-155 % similar 2-(Benzyloxy)-5-(trifluoromethyl)phenylboronic acid612833-41-754 % similar 4-Benzyloxy-2-methylphenylboronic acid847560-49-051 % similar 2,4-Difluorophenylboronic acid144025-03-650 % similar 1-Fluoro-4-(phenylmethoxy)benzene370-78-549 % similar 4-Benzyloxy-2-formylphenylboronic acid139962-97-348 % 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-5-fluorophenylboronic acid779331-47-4 B-[3-Fluoro-5-(phenylmethoxy)phenyl]boronic acid850589-56-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook