| Sonrisas canónicas | COC1=CC2=C(C=C1)OC=C2Br |
|---|---|
| IUPAC Name | 3-bromo-5-methoxy-1-benzofuran |
| InChIKey | SXTHYDGHIPTSEC-UHFFFAOYSA-N |
| INCHI | 1S/C9H7BrO2/c1-11-6-2-3-9-7(4-6)8(10)5-12-9/h2-5H,1H3 |
| Isómeros SMILES | COC1=CC2=C(C=C1)OC=C2Br |
| PubChem CID | 53429193 |
| Peso molecular | 227.06 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzofurans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzofurans |
| Alternative Parents | Anisoles Alkyl aryl ethers Aryl bromides Heteroaromatic compounds Furans Oxacyclic compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzofuran - Anisole - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Benzenoid - Furan - Heteroaromatic compound - Ether - Oxacycle - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. |
| External Descriptors | Not available |
| Peso molecular | 227.050 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 225.963 Da |
| Monoisotopic Mass | 225.963 Da |
| Topological Polar Surface Area | 22.400 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 163.000 |
| 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 |
