chempirical

1-(Triisopropylsilyl)pyrrole-3-boronic acid

C13H26BNO2SiCAS 138900-55-7267.25 g/mol

Open in Covalent MOL file
BNSiHOOH
Boronic acid

Properties

Molecular formula
C13H26BNO2Si
Molar mass
267.25 g/mol
Exact mass
267.1826 Da
logP
2.19Crippen estimate
Polar surface area
45.4 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
5

Identifiers

CAS number
138900-55-7
SMILES
B(C1=CN(C=C1)[Si](C(C)C)(C(C)C)C(C)C)(O)O
InChIKey
HUBVAOMVEMGRFA-UHFFFAOYSA-N
InChI
InChI=1S/C13H26BNO2Si/c1-10(2)18(11(3)4,12(5)6)15-8-7-13(9-15)14(16)17/h7-12,16-17H,1-6H3

Weigh it out

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

Work with 1-(Triisopropylsilyl)pyrrole-3-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

[Imidazo[1,2-A]pyridin-6-yl]boronic acid913835-63-934 % similar [4-(Trimethylsilyl)phenyl]boronic acid17865-11-132 % similar (4-Methoxyphenyl)boronic acid5720-07-032 % similar P-Tolylboronic acid5720-05-831 % similar B-[4-[(1-Methylethyl)sulfonyl]phenyl]boronic acid850567-98-531 % similar Phenylboronic acid98-80-630 % similar

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

Elsewhere

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