chempirical

4-Benzyloxy-3-fluorophenylboronic Acid

C13H12BFO3CAS 133057-83-7246.04 g/mol

Open in Covalent MOL file
BOFHOHO
Aryl halideBoronic acidEther

Properties

Molecular formula
C13H12BFO3
Molar mass
246.04 g/mol
Exact mass
246.0864 Da
logP
1.08Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Identifiers

CAS number
133057-83-7
SMILES
B(C1=CC(=C(C=C1)OCC2=CC=CC=C2)F)(O)O
InChIKey
DQPDLDQJMUGVGI-UHFFFAOYSA-N
InChI
InChI=1S/C13H12BFO3/c15-12-8-11(14(16)17)6-7-13(12)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2

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Names and synonyms

1 names
  • 4-(Benzyloxy)-3-fluorophenylboronic acid

Work with 4-Benzyloxy-3-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

3-Benzyloxyphenylboronic acid156682-54-156 % similar B-(3-Ethoxy-4-fluorophenyl)boronic acid900174-65-451 % similar (3,4-Difluorophenyl)boronic acid168267-41-249 % similar 4-Fluoro-3-methoxyphenylboronic acid854778-31-748 % similar 1-(Phenylmethyl) 3-boronobenzoate380430-52-443 % similar 2,3-Dihydrobenzofuran-5-ylboronic acid227305-69-342 % similar 3,4-Dimethoxyphenylboronic acid122775-35-341 % similar 2-(Phenylmethoxy)phenol6272-38-441 % similar

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

Same formula

(2-Benzyloxy-4-fluorophenyl)boronic acid848779-87-3 B-[3-Fluoro-5-(phenylmethoxy)phenyl]boronic acid850589-56-9

Elsewhere

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