chempirical

4-Methoxy-2-(trifluoromethyl)phenylboronic acid

C8H8BF3O3CAS 313546-16-6219.95 g/mol

Open in Covalent MOL file
BOFFFHOHO
Alkyl halideBoronic acidEther

Properties

Molecular formula
C8H8BF3O3
Molar mass
219.95 g/mol
Exact mass
220.0519 Da
logP
0.39Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
313546-16-6
SMILES
B(C1=C(C=C(C=C1)OC)C(F)(F)F)(O)O
InChIKey
ZBCRZEJNAADYKG-UHFFFAOYSA-N
InChI
InChI=1S/C8H8BF3O3/c1-15-5-2-3-7(9(13)14)6(4-5)8(10,11)12/h2-4,13-14H,1H3

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

Work with 4-Methoxy-2-(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-Fluoro-4-methoxyphenyl)boronic acid162101-31-759 % similar 2,4-Dimethoxybenzeneboronic acid133730-34-458 % similar 2,4-Bis(trifluoromethyl)phenylboronic acid153254-09-258 % similar 4-Fluoro-3-(trifluoromethyl)anisole127271-65-257 % similar B-[4-Fluoro-2-(trifluoromethyl)phenyl]boronic acid182344-16-757 % similar (4-Methoxy-2-methylphenyl)boronic acid208399-66-057 % similar 2-Chloro-4-methoxyphenylboronic acid219735-99-655 % similar 2-Fluoro-5-methoxyphenylboronic acid406482-19-755 % similar

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

Same formula

3-Trifluoromethyl-4-methoxy-phenylboronic acid149507-36-8 2-Methoxy-5-(trifluoromethyl)phenylboronic acid240139-82-6 (2-Methoxy-4-(trifluoromethyl)phenyl)boronic acid312936-89-3

Elsewhere

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