| Sonrisas canónicas | C1=CC(=C(C(=C1)Cl)COCCOCCCCCCBr)Cl |
|---|---|
| IUPAC Name | 2-[2-(6-bromohexoxy)ethoxymethyl]-1,3-dichlorobenzene |
| InChIKey | AKLUHFHHUBIDQA-UHFFFAOYSA-N |
| INCHI | 1S/C15H21BrCl2O2/c16-8-3-1-2-4-9-19-10-11-20-12-13-14(17)6-5-7-15(13)18/h5-7H,1-4,8-12H2 |
| Isómeros SMILES | C1=CC(=C(C(=C1)Cl)COCCOCCCCCCBr)Cl |
| PubChem CID | 66844903 |
| Peso molecular | 384.14 |
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 | Benzylethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzylethers |
| Alternative Parents | Dichlorobenzenes Aryl chlorides Dialkyl ethers Organochlorides Organobromides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzylether - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Ether - Dialkyl ether - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Alkyl halide - Alkyl bromide - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene). |
| External Descriptors | Not available |
| Peso molecular | 384.100 g/mol |
|---|---|
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 11 |
| Exact Mass | 382.01 Da |
| Monoisotopic Mass | 382.01 Da |
| Topological Polar Surface Area | 18.500 Ų |
| Heavy Atom Count | 20 |
| 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 |
