Fomesafen

Chemical Information
Fomesafen is an N-sulfonylcarboxamide that is N-(methylsulfonyl)benzamide in which the phenyl ring is substituted by a nitro group at position 2 and a 2-chloro-4-(trifluoromethyl)phenoxy group at position 5. A protoporphyrinogen oxidase inhibitor, it was specially developed for use (generally as the corresponding sodium salt, fomesafen-sodium) for post-emergence control of broad-leaf weeds in soya. It has a role as a herbicide, an agrochemical and an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor. It is a member of phenols, an aromatic ether, a C-nitro compound, an organofluorine compound, a member of monochlorobenzenes and a N-sulfonylcarboxamide. It is a conjugate acid of a fomesafen(1-).
| CAS Number | 72178-02-0 |
| PubChem CID | 51556 |
| IUPAC Name | 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzamide |
| Molecular Formula | C15H10ClF3N2O6S |
| Molecular Weight | 438.8 |
| XLogP | 2.4 |
| Topological Polar Surface Area | 127 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 693 |
| Property | Value |
|---|---|
| Molecular Weight | 438.8 |
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 437.9900194 |
| Monoisotopic Mass | 437.9900194 |
| Topological Polar Surface Area | 127 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 693 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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