| Canonical Smiles | C1=CC=C(C(=C1)CC2=NN=C(O2)N)Cl |
|---|---|
| IUPAC Name | 5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine |
| InChIKey | KXMXDIMDUQXAPN-UHFFFAOYSA-N |
| INCHI | 1S/C9H8ClN3O/c10-7-4-2-1-3-6(7)5-8-12-13-9(11)14-8/h1-4H,5H2,(H2,11,13) |
| Molecular Weight | 209.63 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chlorobenzenes |
| Alternative Parents | Primary aromatic amines Aryl chlorides Heteroaromatic compounds 1,3,4-oxadiazoles Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Chlorobenzene - Aryl chloride - Aryl halide - Primary aromatic amine - 1,3,4-oxadiazole - Azole - Oxadiazole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety. |
| External Descriptors | Not available |
| Molecular Weight | 209.630 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 209.036 Da |
| Monoisotopic Mass | 209.036 Da |
| Topological Polar Surface Area | 64.900 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 193.000 |
| 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 |
![5-[(2-Chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine - ≥95% , CAS No.862574-66-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)