| Sonrisas canónicas | C1=CC(=CC=C1CN)OC2=CC=C(C=C2)[N+](=O)[O-] |
|---|---|
| IUPAC Name | [4-(4-nitrophenoxy)phenyl]methanamine |
| InChIKey | MTPXIIXVJTWHRL-UHFFFAOYSA-N |
| INCHI | 1S/C13H12N2O3/c14-9-10-1-5-12(6-2-10)18-13-7-3-11(4-8-13)15(16)17/h1-8H,9,14H2 |
| Peso molecular | 244.250 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Diphenylethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylethers |
| Alternative Parents | Diarylethers Nitrobenzenes Phenylmethylamines Phenoxy compounds Phenol ethers Nitroaromatic compounds Benzylamines Aralkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diphenylether - Diaryl ether - Nitrobenzene - Benzylamine - Phenoxy compound - Nitroaromatic compound - Phenol ether - Phenylmethylamine - Aralkylamine - C-nitro compound - Organic nitro compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Amine - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group. |
| External Descriptors | Not available |
| Peso molecular | 244.250 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 244.085 Da |
| Monoisotopic Mass | 244.085 Da |
| Topological Polar Surface Area | 81.100 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 264.000 |
| 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 |
