chempirical

5-Bromo-2-thiopheneboronic Acid (contains varying amounts of Anhydride)

C4H4BBrO2SCAS 162607-17-2206.85 g/mol

Open in Covalent MOL file
BSBrHOHO
Aryl halideBoronic acid

Properties

Molecular formula
C4H4BBrO2S
Molar mass
206.85 g/mol
Exact mass
205.9208 Da
logP
0.19Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
162607-17-2
SMILES
B(C1=CC=C(S1)Br)(O)O
InChIKey
USJPOBDLWVCPGG-UHFFFAOYSA-N
InChI
InChI=1S/C4H4BBrO2S/c6-4-2-1-3(9-4)5(7)8/h1-2,7-8H

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Names and synonyms

1 names
  • 5-Bromothiophene-2-boronic acid

Work with 5-Bromo-2-thiopheneboronic 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

5-Methyl-2-thiopheneboronic acid162607-20-750 % similar 2,5-Dibromothiophene3141-27-350 % similar (5-Cyanothiophen-2-yl)boronic acid305832-67-145 % similar 5-Formyl-2-thiopheneboronic acid4347-33-545 % similar 5-Bromo-2-thiophenemethanol79387-71-640 % similar 2-Bromo-5-chlorothiophene2873-18-939 % similar 2-Bromo-5-methylthiophene765-58-239 % similar 2-Thienylboronic acid6165-68-038 % similar

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

Elsewhere

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