| Canonical Smiles | C1=CN=C(C=C1OC2=C(C=C(C(=C2)F)[N+](=O)[O-])F)Cl |
|---|---|
| IUPAC Name | 2-chloro-4-(2,5-difluoro-4-nitrophenoxy)pyridine |
| InChIKey | HVLWVQWJVRJRDF-UHFFFAOYSA-N |
| INCHI | 1S/C11H5ClF2N2O3/c12-11-3-6(1-2-15-11)19-10-5-7(13)9(16(17)18)4-8(10)14/h1-5H |
| Isomeric SMILES | C1=CN=C(C=C1OC2=C(C=C(C(=C2)F)[N+](=O)[O-])F)Cl |
| Molecular Weight | 286.62 |
| Reaxy-Rn | 20367646 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20367646&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylethers |
| Alternative Parents | Nitrobenzenes Phenoxy compounds Phenol ethers Nitroaromatic compounds 2-halopyridines Fluorobenzenes Aryl chlorides Aryl fluorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Organofluorides Organonitrogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diaryl ether - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - 2-halopyridine - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups. |
| External Descriptors | Not available |
| Molecular Weight | 286.620 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 285.996 Da |
| Monoisotopic Mass | 285.996 Da |
| Topological Polar Surface Area | 67.900 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 332.000 |
| 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 |
