Azafenidin
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Basic Info
| Common Name | Azafenidin(F06201) |
| 2D Structure | |
| FRCD ID | F06201 |
| CAS Number | 68049-83-2 |
| PubChem CID | 443029 |
| Formula | C15H13Cl2N3O2 |
| IUPAC Name | 2-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one |
| InChI Key | XOEMATDHVZOBSG-UHFFFAOYSA-N |
| InChI | InChI=1S/C15H13Cl2N3O2/c1-2-7-22-13-9-12(10(16)8-11(13)17)20-15(21)19-6-4-3-5-14(19)18-20/h1,8-9H,3-7H2 |
| Canonical SMILES | C#CCOC1=C(C=C(C(=C1)N2C(=O)N3CCCCC3=N2)Cl)Cl |
| Isomeric SMILES | C#CCOC1=C(C=C(C(=C1)N2C(=O)N3CCCCC3=N2)Cl)Cl |
| Synonyms |
Azafenidin
Azafeniden
Azafenidin [ISO]
68049-83-2
UNII-XQK9668H5M
AC1L9DWE
XQK9668H5M
C10895
azafenidine
Evolus
|
| Classifies |
Pesticide
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Organic compounds |
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Triazoles |
| Intermediate Tree Nodes | Phenyltriazoles |
| Direct Parent | Phenyl-1,2,4-triazoles |
| Alternative Parents | |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenyl-1,2,4-triazole - Triazolopyridine - 1,3-dichlorobenzene - Phenol ether - Phenoxy compound - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl halide - Monocyclic benzene moiety - Pyridine - Aryl chloride - Benzenoid - Heteroaromatic compound - Ether - Acetylide - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 338.188 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Complexity | 530 |
| Monoisotopic Mass | 337.038 |
| Exact Mass | 337.038 |
| XLogP | 2.9 |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
MRLs
| Food | Product Code | Country | MRLs | Application Date | Notes |
|---|---|---|---|---|---|
| Other Spices | Japan | 0.1ppm | |||
| Other Citrus Fruits | Japan | 0.1ppm | |||
| Lime | Japan | 0.1ppm | |||
| Grapefruit | Japan | 0.1ppm | |||
| Orange(Including Navel Orange) | Japan | 0.1ppm | |||
| Lemon | Japan | 0.1ppm | |||
| Citrus Natsudaidai,Whole | Japan | 0.1ppm | |||
| Unshu Orange,Pulp | Japan | 0.1ppm |