| 1 | benfluralin |
| 2 | Bethrodine |
| 3 | Balan |
| 4 | BENEFIN |
| 5 | Benfluraline |
Benfluralin is a tertiany amino compound that is 2,6-dinitro-4-(trifluoromethyl)aniline in which the hydrogens attached to the aniline nitrogen have been replaced by one ethyl and one butyl group. It is used as a pre-emergence herbicide used for the control of grass and other weeds in a range of food and non-food crops. It has a role as a herbicide and an agrochemical. It is a tertiary amino compound, a C-nitro compound, an organofluorine compound and a substituted aniline.
| Molecular Formula | C13H16F3N3O4 |
|---|---|
| Canonical SMILES | CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
| Isomeric SMILES | CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
| Molecular Weight | 335.2800 |
| InChIKey | SMDHCQAYESWHAE-UHFFFAOYSA-N |
| InChI | InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3 |
| XLogP | 5.3000 |
| ExactMass | 335.1093 |
| MonoisotopicMass | 335.1093 |
| TPSA | 94.9000 |
| Complexity | 398.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 8 |
| RotatableBondCount | 5 |
| HeavyAtomCount | 23 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 25450 |
| PatentFamilyCount | 6693 |
| LiteratureCount | 261 |