| Sonrisas canónicas | C1=CC(=C(C=C1Cl)C=O)OC(F)(F)F |
|---|---|
| IUPAC Name | 5-chloro-2-(trifluoromethoxy)benzaldehyde |
| InChIKey | VJRCCSALVWMZAN-UHFFFAOYSA-N |
| INCHI | 1S/C8H4ClF3O2/c9-6-1-2-7(5(3-6)4-13)14-8(10,11)12/h1-4H |
| Isómeros SMILES | C1=CC(=C(C=C1Cl)C=O)OC(F)(F)F |
| PubChem CID | 46835525 |
| Peso molecular | 224.56 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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 Trihalomethanes Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Benzaldehyde - Benzoyl - Phenol ether - Chlorobenzene - Halobenzene - Aryl-aldehyde - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Trihalomethane - Organochloride - Organohalogen compound - Halomethane - Organic oxide - Alkyl halide - Organic oxygen compound - Alkyl fluoride - Aldehyde - Organofluoride - Organooxygen compound - Hydrocarbon derivative - 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 | 224.560 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 223.985 Da |
| Monoisotopic Mass | 223.985 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 207.000 |
| 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 |
