chempirical

3-(Trimethylsilyl)phenylboronic acid

C9H15BO2SiCAS 177171-16-3194.11 g/mol

Open in Covalent MOL file
SiBHOOH
Boronic acid

Properties

Molecular formula
C9H15BO2Si
Molar mass
194.11 g/mol
Exact mass
194.0934 Da
Melting point
138–140 °C
logP
-0.09Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
177171-16-3
SMILES
C[Si](C)(C)c1cccc(B(O)O)c1
InChIKey
REMKRZLFPLDTKR-UHFFFAOYSA-N
InChI
InChI=1S/C9H15BO2Si/c1-13(2,3)9-6-4-5-8(7-9)10(11)12/h4-7,11-12H,1-3H3

Weigh it out

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

Names and synonyms

4 names
  • Boronic acid, B-[3-(trimethylsilyl)phenyl]-
  • Boronic acid, [3-(trimethylsilyl)phenyl]-
  • B-[3-(Trimethylsilyl)phenyl]boronic acid
  • m-(Trimethylsilyl)phenylboronic acid

Work with 3-(Trimethylsilyl)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

3-Methylphenylboronic acid17933-03-852 % similar 3-Fluorophenylboronic acid768-35-448 % similar (3-Hydroxyphenyl)boronic acid87199-18-648 % similar (3-Methoxyphenyl)boronic acid10365-98-747 % similar 3-(Methylthio)benzeneboronic acid128312-11-847 % similar 3-Aminophenylboronic acid30418-59-847 % similar (3-Hydroxymethyl)phenylboronic acid87199-15-344 % similar 3-(Dimethylamino)phenylboronic acid hydrochloride (contains varying amounts of anhydride)1256355-23-343 % similar

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

Same formula

[4-(Trimethylsilyl)phenyl]boronic acid17865-11-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook