1-(5-Chloro-4-nitrothiophen-2-yl)ethan-1-one
1-(5-chloro-4-nitrothiophen-2-yl)ethanone
Also Known As: 1-(5-chloro-4-nitrothiophen-2-yl)ethanone|1-(5-chloro-4-nitrothiophen-2-yl)ethan-1-one|1-(5-CHLORO-4-NITRO-2-THIENYL)ETHAN-1-ONE|2-chloro-3-nitro-5-acetylthiophene|5-acetyl-2-chloro-3-nitrothiophene|2-acetyl-5-chloro-4-nitrothiophene|KS-00001AOJ|Bis[dichloro(cyclohexene)platinum]|5-acetyl-2-chlor-3-nitrothiophene|1-(5-Chloro-4-nitro-thiophen-2-yl)-ethanone|2-Acetyl-4-nitro-5-chlorothiophene|1-(5-chloro-4-nitro-2-thienyl)ethanone|1-(4-Nitro-5-chloro-2-thienyl)ethanone|Ethanone, 1-(5-chloro-4-nitro-2-thienyl)-|5-Acetyl-2-chloro-3-nitrothiophene, tech|Ketone, 5-chloro-4-nitro-2-thienyl methyl|J1.308.788A|1-(5-Chloro-4-nitro-thiophen-2-yl)-ethanone, 98% - 1G 1g|830-585-5
| Molecular Formula | C6H4ClNO3S |
|---|---|
| Molecular Weight | 204.96004 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 91.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.96004 |
| Monoisotopic Mass | 204.96004 |
| Heavy Atoms | 12 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 42456-75-7 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(S1)Cl)[N+](=O)[O-] |
| InChIKey | HHHNIUPEIAJYKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(5-Chloro-4-nitrothiophen-2-yl)ethan-1-one (CAS 42456-75-7), with molecular formula C6H4ClNO3S and molecular weight 204.96004 g/mol. IUPAC: 1-(5-chloro-4-nitrothiophen-2-yl)ethanone.