| Sonrisas canónicas | C1=CC2=CN=NC=C2C(=C1)Br |
|---|---|
| IUPAC Name | 5-bromophthalazine |
| InChIKey | PFWLAJKBPRUGNT-UHFFFAOYSA-N |
| INCHI | 1S/C8H5BrN2/c9-8-3-1-2-6-4-10-11-5-7(6)8/h1-5H |
| Isómeros SMILES | C1=CC2=CN=NC=C2C(=C1)Br |
| PubChem CID | 13649370 |
| Peso molecular | 209.04 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phthalazines |
| Alternative Parents | Pyridazines and derivatives Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phthalazine - Benzenoid - Pyridazine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phthalazines. These are compounds containing a phthalazine moiety, which consists of a benzene ring fused to a pyridazine, forming a 2,3-benzodiazine skeleton. |
| External Descriptors | Not available |
| Peso molecular | 209.040 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 207.964 Da |
| Monoisotopic Mass | 207.964 Da |
| Topological Polar Surface Area | 25.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 140.000 |
| 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 |
