| Sonrisas canónicas | C1=C(C=C(C=C1[N+](=O)[O-])OCC(F)F)N |
|---|---|
| IUPAC Name | 3-(2,2-difluoroethoxy)-5-nitroaniline |
| InChIKey | NKVLRUWGBCMVPU-UHFFFAOYSA-N |
| INCHI | 1S/C8H8F2N2O3/c9-8(10)4-15-7-2-5(11)1-6(3-7)12(13)14/h1-3,8H,4,11H2 |
| Isómeros SMILES | C1=C(C=C(C=C1[N+](=O)[O-])OCC(F)F)N |
| PubChem CID | 7019293 |
| Peso molecular | 218.16 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Nitrophenyl ethers |
| Alternative Parents | Aminophenyl ethers Phenoxy compounds Nitroaromatic compounds Aniline and substituted anilines Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organofluorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrophenyl ether - Aminophenyl ether - Phenoxy compound - Nitroaromatic compound - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic zwitterion - Primary amine - Organic salt - Organooxygen compound - Organonitrogen compound - Organofluoride - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 218.160 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 218.05 Da |
| Monoisotopic Mass | 218.05 Da |
| Topological Polar Surface Area | 81.100 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 222.000 |
| 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 |
