Benfluralin
-
CAS Number 1861-40-1
-
Catalog Number io-1780
-
Classification Amines
-
Molecular Weight 335.2800
-
SMILES CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
Size | QTY | Notes | |
---|---|---|---|
|
|
Add |
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compound that is 2,6-dinitro-4-(trifluoromethyl)aniline in which the hydrogens attached to the aniline nitrogen have been replaced by one ethyl and one butyl group.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.
1 | benfluralin |
2 | Bethrodine |
3 | Balan |
4 | BENEFIN |
5 | Benfluraline |
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 |