5-(4-Chlorophenyl)-2-thiophenecarboxaldehyde

C₁₁H₇ClOSCAS 38401-71-7222.69 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₁₁H₇ClOS
Molar mass: 222.69 g/mol
Exact mass: 221.9906 Da
Melting point: 88–89 °C
logP: 3.88Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

38401-71-7

SMILES

O=Cc1ccc(-c2ccc(Cl)cc2)s1

InChIKey

JFAKPLYPDADDKE-UHFFFAOYSA-N

InChI

InChI=1S/C11H7ClOS/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7H

Weigh it out

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

Names and synonyms

2 names

2-Thiophenecarboxaldehyde, 5-(4-chlorophenyl)-
5-(p-Chlorophenyl)-2-thiophenecarboxaldehyde

Work with 5-(4-Chlorophenyl)-2-thiophenecarboxaldehyde

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-Chloro-2-thiophenecarboxaldehyde7283-96-750 % similar 2,5-Thiophenedicarboxaldehyde932-95-650 % similar 5'-Bromo(2,2'-bithiophene)-5-carbaldehyde110046-60-149 % similar 5-(Pyridin-2-yl)thiophene-2-carbaldehyde132706-12-847 % similar 4-Chlorobenzaldehyde104-88-145 % similar 5-Ethyl-2-thiophenecarboxaldehyde36880-33-842 % similar 5-Methyl-2-thiophenecarboxaldehyde13679-70-441 % similar 5-Bromo-2-thiophenecarboxaldehyde4701-17-141 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook