Fomesafen
Category:
CAS:
Description:
Fomesafen is a protoporphyrinogen oxidae (PPO) inhibitor.
| CID | 51556 |
| Synonyms | Fomesafene; 5-(2-Chloro-4-(trifluoromethyl)phenoxy)-N-(methylsulfonyl)-2-nitrobenzamide; Reflex |
| IUPAC Name | 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzamide |
| Molecular Weight | 438.76 |
| Molecular Formula | C15H10ClF3N2O6S |
| Canonical SMILES | CS(=O)(=O)NC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-] |
| InChI | InChI=1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22) |
| InChIKey | BGZZWXTVIYUUEY-UHFFFAOYSA-N |
| EC Number | 276-439-9 |
| UNII | M0A3U4CDTF |
Producut details
| Formulation | 250g/l |
| Appearance | White crystalline solid |
| Boiling Point | 100.6 °C |
| Melting Point | 217-219°C |
| Water | In water, 50 mg/L at 20 °C |
| Shelf Life | Limited shelf life, expiry date on the label |
Chemical and Physical Properties
| Purity | 95% |
| Density | 1.574 g/cm3 |
| Solubility | Solubility at 25 °C (mg/mL): propylene glycol 631; octanol 12; ethyl decanoate 10 /Fomesafen sodium salt/ |
| Storage | Keep container tightly closed in a dry and well-ventilated place. |
| Complexity | 693 |
| Exact Mass | 437.9900194 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 1 |
| Monoisotopic Mass | 437.9900194 |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 127 |
| XLogP3 | 2.4 |
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