| Sonrisas canónicas | C1=CC(=C(C=C1Cl)C=O)OC(F)F |
|---|---|
| IUPAC Name | 5-chloro-2-(difluoromethoxy)benzaldehyde |
| InChIKey | FRNLODWJIKMPDY-UHFFFAOYSA-N |
| INCHI | 1S/C8H5ClF2O2/c9-6-1-2-7(13-8(10)11)5(3-6)4-12/h1-4,8H |
| Isómeros SMILES | C1=CC(=C(C=C1Cl)C=O)OC(F)F |
| PubChem CID | 4770949 |
| Peso molecular | 206.58 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Benzoyl derivatives Benzaldehydes Chlorobenzenes Aryl chlorides Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Benzaldehyde - Benzoyl - Phenol ether - Chlorobenzene - Halobenzene - Aryl-aldehyde - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Organofluoride - Organochloride - Organohalogen compound - Alkyl fluoride - Aldehyde - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Alkyl halide - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 206.570 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 205.995 Da |
| Monoisotopic Mass | 205.995 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 178.000 |
| 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 |
