chempirical

2-(Benzyloxy)-5-(trifluoromethyl)phenylboronic acid

C14H12BF3O3CAS 612833-41-7296.05 g/mol

Open in Covalent MOL file
BFFFOOHHO
Alkyl halideBoronic acidEther

Properties

Molecular formula
C14H12BF3O3
Molar mass
296.05 g/mol
Exact mass
296.0832 Da
logP
1.96Crippen estimate
Polar surface area
49.7 Ų
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
612833-41-7
SMILES
B(C1=C(C=CC(=C1)C(F)(F)F)OCC2=CC=CC=C2)(O)O
InChIKey
NWZHBEJEZSNEIF-UHFFFAOYSA-N
InChI
InChI=1S/C14H12BF3O3/c16-14(17,18)11-6-7-13(12(8-11)15(19)20)21-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2

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Names and synonyms

1 names
  • 2-Benzyloxy-5-trifluoromethylphenylboronic acid

Work with 2-(Benzyloxy)-5-(trifluoromethyl)phenylboronic 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-fluorophenylboronic acid779331-47-465 % similar 2-Benzyloxyphenylboronic acid190661-29-160 % similar 2-Methoxy-5-(trifluoromethyl)phenylboronic acid240139-82-658 % similar (2-Benzyloxy-4-fluorophenyl)boronic acid848779-87-354 % similar 1-(Phenylmethoxy)-3-(trifluoromethyl)benzene70097-64-252 % similar 4-Benzyloxy-3-fluorophenylboronic Acid133057-83-751 % similar 2-Fluoro-5-(trifluoromethyl)phenylboronic acid352535-96-749 % similar 2-Fluoro-4-(trifluoromethyl)benzeneboronic acid503309-11-349 % similar

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

Elsewhere

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