| Sonrisas canónicas | C1=CC=C(C(=C1)C2=CC=C(S2)C=O)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 5-(2-nitrophenyl)thiophene-2-carbaldehyde |
| InChIKey | XATOZQNAFCDQPC-UHFFFAOYSA-N |
| INCHI | 1S/C11H7NO3S/c13-7-8-5-6-11(16-8)9-3-1-2-4-10(9)12(14)15/h1-7H |
| Peso molecular | 233.24 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Nitroaromatic compounds Aryl-aldehydes 2,5-disubstituted thiophenes Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitrobenzene - Nitroaromatic compound - Aryl-aldehyde - 2,5-disubstituted thiophene - Thiophene - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Aldehyde - Organic salt - Organic cation - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. |
| External Descriptors | Not available |
| Peso molecular | 233.240 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 233.015 Da |
| Monoisotopic Mass | 233.015 Da |
| Topological Polar Surface Area | 91.100 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 279.000 |
| 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 |
