| Sonrisas canónicas | C1=C(SC=C1CCl)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 4-(chloromethyl)-2-nitrothiophene |
| InChIKey | NTWWIHRRMAEXMG-UHFFFAOYSA-N |
| INCHI | 1S/C5H4ClNO2S/c6-2-4-1-5(7(8)9)10-3-4/h1,3H,2H2 |
| Isómeros SMILES | C1=C(SC=C1CCl)[N+](=O)[O-] |
| PubChem CID | 45791497 |
| Peso molecular | 177.6 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Thiophenes |
| Subclass | Nitrothiophenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2-nitrothiophenes |
| Alternative Parents | Nitroaromatic compounds Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Alkyl chlorides Organic cations |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-nitrothiophene - Nitroaromatic compound - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Alkyl halide - Organonitrogen compound - Organochloride - Alkyl chloride - Organohalogen compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 2-nitrothiophenes. These are aromatic heterocyclic compound containing a nitro group attached to a thiophene ring a the 2-position. |
| External Descriptors | Not available |
| Peso molecular | 177.610 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 176.965 Da |
| Monoisotopic Mass | 176.965 Da |
| Topological Polar Surface Area | 74.100 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 138.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
