| Sonrisas canónicas | C1=CC(=C(C=C1C(F)(F)F)I)CO |
|---|---|
| IUPAC Name | [2-iodo-4-(trifluoromethyl)phenyl]methanol |
| InChIKey | KYPRZVRKNSVLNI-UHFFFAOYSA-N |
| INCHI | 1S/C8H6F3IO/c9-8(10,11)6-2-1-5(4-13)7(12)3-6/h1-3,13H,4H2 |
| Isómeros SMILES | C1=CC(=C(C=C1C(F)(F)F)I)CO |
| PubChem CID | 71463983 |
| Peso molecular | 302.04 |
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 | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Benzyl alcohols Iodobenzenes Aryl iodides Primary alcohols Organoiodides Organofluorides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Benzyl alcohol - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Alcohol - Organoiodide - Organofluoride - Organohalogen compound - Organooxygen compound - Primary alcohol - Aromatic alcohol - Hydrocarbon derivative - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
| Peso molecular | 302.030 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 301.942 Da |
| Monoisotopic Mass | 301.942 Da |
| Topological Polar Surface Area | 20.200 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 171.000 |
| 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 |
