| Canonical Smiles | C1=CC2=NON=C2C(=C1Cl)N |
|---|---|
| IUPAC Name | 5-chloro-2,1,3-benzoxadiazol-4-amine |
| InChIKey | ZSWJSENIQJOSLN-UHFFFAOYSA-N |
| INCHI | 1S/C6H4ClN3O/c7-3-1-2-4-6(5(3)8)10-11-9-4/h1-2H,8H2 |
| Molecular Weight | 169.57 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzoxadiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoxadiazoles |
| Alternative Parents | Benzenoids Aryl chlorides Heteroaromatic compounds Furazans Oxacyclic compounds Azacyclic compounds Primary amines Organochlorides Organic oxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzoxadiazole - Aryl chloride - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Furazan - Oxadiazole - Oxacycle - Azacycle - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Primary amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoxadiazoles. These are organic compounds containing a benzene fused to an oxadiazole ring (a five-membered ring with two carbon atoms, one nitrogen atom, and one oxygen atom). |
| External Descriptors | Not available |
| Molecular Weight | 169.570 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 169.004 Da |
| Monoisotopic Mass | 169.004 Da |
| Topological Polar Surface Area | 64.900 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 157.000 |
| 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 |
