Fenoxanil
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Basic Info
| Common Name | Fenoxanil(F05818) |
| 2D Structure | |
| FRCD ID | F05818 |
| CAS Number | 115852-48-7 |
| PubChem CID | 11262655 |
| Formula | C15H18Cl2N2O2 |
| IUPAC Name | N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide |
| InChI Key | IUOKJNROJISWRO-UHFFFAOYSA-N |
| InChI | InChI=1S/C15H18Cl2N2O2/c1-9(2)15(4,8-18)19-14(20)10(3)21-13-6-5-11(16)7-12(13)17/h5-7,9-10H,1-4H3,(H,19,20) |
| Canonical SMILES | CC(C)C(C)(C#N)NC(=O)C(C)OC1=C(C=C(C=C1)Cl)Cl |
| Isomeric SMILES | CC(C)C(C)(C#N)NC(=O)C(C)OC1=C(C=C(C=C1)Cl)Cl |
| Synonyms |
IUOKJNROJISWRO-UHFFFAOYSA-N
Fenoxanil
115852-48-7
N-(1-Cyano-1,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)propionamide
C15H18Cl2N2O2
N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
Fenoxanil [ISO]
SCHEMBL21094
DTXSID2057942
CHEBI:84016
|
| Classifies |
Pesticide
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Organic compounds |
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Chlorobenzenes |
| Direct Parent | Dichlorobenzenes |
| Alternative Parents | |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Carboximidic acid - Carboximidic acid derivative - Ether - Carbonitrile - Nitrile - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 329.221 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Complexity | 421 |
| Monoisotopic Mass | 328.075 |
| Exact Mass | 328.075 |
| XLogP | 4.5 |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| 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 |
|---|---|---|---|---|---|
| Rice(Brown Rice) | Japan | 1ppm | |||
| Rice | Korea | 0.5ppm |