5-Chlorothiophene-2-boronic acid

C₄H₄BClO₂SCAS 162607-18-3162.39 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₄H₄BClO₂S
Molar mass: 162.39 g/mol
Exact mass: 161.9714 Da
logP: 0.08Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Identifiers

CAS number

162607-18-3

SMILES

B(C1=CC=C(S1)Cl)(O)O

InChIKey

JFCLNCVCDFUJPO-UHFFFAOYSA-N

InChI

InChI=1S/C4H4BClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2,7-8H

Weigh it out

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

Work with 5-Chlorothiophene-2-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

5-Methyl-2-thiopheneboronic acid162607-20-750 % similar 2,5-Dichlorothiophene3172-52-950 % similar (5-Cyanothiophen-2-yl)boronic acid305832-67-145 % similar 5-Formyl-2-thiopheneboronic acid4347-33-545 % similar 2-Bromo-5-chlorothiophene2873-18-939 % similar 2-Thienylboronic acid6165-68-038 % similar 2-Chloro-5-(chloromethyl)thiophene23784-96-537 % similar 5-Chloro-2-thiophenecarboxylic acid24065-33-636 % similar

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

Same formula

B-(2-Chloro-3-thienyl)boronic acid177734-82-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook