Bispyribac-Sodium
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Basic Info
| Common Name | Bispyribac-Sodium(F05970) |
| 2D Structure | |
| FRCD ID | F05970 |
| CAS Number | 125401-92-5 |
| PubChem CID | 23682789 |
| Formula | C19H17N4NaO8 |
| IUPAC Name | sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate |
| InChI Key | FUHMZYWBSHTEDZ-UHFFFAOYSA-M |
| InChI | InChI=1S/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/q;+1/p-1 |
| Canonical SMILES | COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.[Na+] |
| Isomeric SMILES | COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.[Na+] |
| Synonyms |
Bispyribac-sodium
Sodium 2,6-bis((4,6-dimethoxypyrimidin-2-yl)oxy)benzoate
125401-92-5
Bispyribac sodium
UNII-4NVB39F4NF
KIH-2023
Bispyribac-sodium [ISO:BSI]
EPA Chemical Code 078906
sodium 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate
V 10029
|
| Classifies |
Pesticide
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Organic compounds |
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylethers |
| Alternative Parents |
|
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diaryl ether - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Carboxylic acid salt - Azacycle - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxide - Organopnictogen compound - Organic sodium salt - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic salt - Organic zwitterion - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 452.355 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 9 |
| Complexity | 515 |
| Monoisotopic Mass | 452.094 |
| Exact Mass | 452.094 |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| 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 | 2 |
MRLs
| Food | Product Code | Country | MRLs | Application Date | Notes |
|---|---|---|---|---|---|
| Rice(Brown Rice) | Japan | 0.1ppm | |||
| Rice | Korea | 00.1ppm |