4-(tert-Butyldimethylsilyloxy)phenylboronic Acid (contains varying amounts of Anhydride)

C₁₂H₂₁BO₃SiCAS 159191-56-7252.19 g/mol

Open in Covalent MOL file

Boronic acid Silyl ether

Properties

Molecular formula: C₁₂H₂₁BO₃Si
Molar mass: 252.19 g/mol
Exact mass: 252.1353 Da
logP: 1.75Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Identifiers

CAS number

159191-56-7

SMILES

B(C1=CC=C(C=C1)O[Si](C)(C)C(C)(C)C)(O)O

InChIKey

NVHHEADQQACSCJ-UHFFFAOYSA-N

InChI

InChI=1S/C12H21BO3Si/c1-12(2,3)17(4,5)16-11-8-6-10(7-9-11)13(14)15/h6-9,14-15H,1-5H3

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Names and synonyms

1 names

4-(tert-Butyldimethylsilyloxy)phenylboronic acid

Work with 4-(tert-Butyldimethylsilyloxy)phenylboronic Acid (contains varying amounts of Anhydride)

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

(4-Methoxyphenyl)boronic acid5720-07-047 % similar B-[4-(Hexyloxy)phenyl]boronic acid121219-08-744 % similar 4-(N-Octyloxy)benzeneboronic acid121554-09-444 % similar 4-tert-Butylphenylboronic acid123324-71-043 % similar [4-(Trimethylsilyl)phenyl]boronic acid17865-11-143 % similar (4-((tert-Butoxycarbonyl)oxy)phenyl)boronicacid380430-70-642 % similar P-Tolylboronic acid5720-05-838 % similar (4-Hydroxyphenyl)boronic acid71597-85-835 % similar

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

Elsewhere

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