chempirical

[4-(Trimethylsilyl)phenyl]boronic acid

C9H15BO2SiCAS 17865-11-1194.11 g/mol

Open in Covalent MOL file
SiBOHOH
Boronic acid

Properties

Molecular formula
C9H15BO2Si
Molar mass
194.11 g/mol
Exact mass
194.0934 Da
Melting point
193–194 °C
logP
-0.09Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
17865-11-1
SMILES
C[Si](C)(C)c1ccc(B(O)O)cc1
InChIKey
NRPZMSUGPMYBCQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H15BO2Si/c1-13(2,3)9-6-4-8(5-7-9)10(11)12/h4-7,11-12H,1-3H3

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Names and synonyms

7 names
  • Boronic acid, B-[4-(trimethylsilyl)phenyl]-
  • Benzeneboronic acid, p-(trimethylsilyl)-
  • Boronic acid, [4-(trimethylsilyl)phenyl]-
  • B-[4-(Trimethylsilyl)phenyl]boronic acid
  • 4-(Trimethylsilyl)benzeneboronic acid
  • p-Trimethylsilylbenzeneboronic acid
  • p-(Trimethylsilyl)phenylboronic acid

Work with [4-(Trimethylsilyl)phenyl]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

1,4-Bis(trimethylsilyl)benzene13183-70-557 % similar P-Tolylboronic acid5720-05-850 % similar (4-Hydroxyphenyl)boronic acid71597-85-846 % similar 4-tert-Butylphenylboronic acid123324-71-045 % similar 4-Cyanophenylboronic acid126747-14-645 % similar 4-(Dimethylamino)phenylboronic acid28611-39-445 % similar (4-Methoxyphenyl)boronic acid5720-07-045 % similar (4-Ethylphenyl)boronic acid63139-21-945 % similar

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

Same formula

3-(Trimethylsilyl)phenylboronic acid177171-16-3

Elsewhere

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