| Sonrisas canónicas | CCOC1=CC(=C(C=C1)[N+](=O)[O-])C#N |
|---|---|
| IUPAC Name | 5-ethoxy-2-nitrobenzonitrile |
| InChIKey | FKHDQGBZQJRJNV-UHFFFAOYSA-N |
| INCHI | 1S/C9H8N2O3/c1-2-14-8-3-4-9(11(12)13)7(5-8)6-10/h3-5H,2H2,1H3 |
| Isómeros SMILES | CCOC1=CC(=C(C=C1)[N+](=O)[O-])C#N |
| PubChem CID | 75487785 |
| Peso molecular | 192.17 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Clase | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Tertiary amines |
| Direct Parent | Triarylamines |
| Alternative Parents | Phenoxy compounds Phenol ethers Nitroaromatic compounds Benzonitriles Alkyl aryl ethers Trialkylamines Propargyl-type 1,3-dipolar organic compounds Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Tertiary aromatic amine - Phenoxy compound - Nitroaromatic compound - Phenol ether - Benzonitrile - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Organic nitro compound - Tertiary aliphatic amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Nitrile - Carbonitrile - Ether - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as triarylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three aryl groups bonded to the amino nitrogen. |
| External Descriptors | Not available |
| Peso molecular | 192.170 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 192.053 Da |
| Monoisotopic Mass | 192.053 Da |
| Topological Polar Surface Area | 78.800 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 253.000 |
| 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 |
