HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(5-Acetyl-thiophen-2-yl)-2-chloro-ethanone
1-(5-Acetyl-2-thienyl)-2-chloroethanone · Ethanone, 1-(5-acetyl-2-thienyl)-2-chloro- · Ethanone, 1-(5-acetyl-2-thienyl)-2-chloro- (9CI)

Identifiers & Physical Properties
| CAS No. | 50460-05-4 |
|---|---|
| Molecular formula | C8H7ClO2S |
| Average molar mass | 202.66 g/mol |
| Monoisotopic mass | 201.9855283 g/mol |
| SMILES | CC(=O)c1ccc(C(=O)CCl)s1 |
| InChIKey | MFRGLFZRUTXPTQ-UHFFFAOYSA-N |
| PubChem CID | 4165708 |
| ChEMBL | CHEMBL143525 |
| DTXSID | DTXSID60400148 |
Chemical & Physical Properties
| XLogP | 2.3 |
|---|---|
| Topological polar surface area | 62.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 205 |