Bromethalin
N-methyl-2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)aniline
| Molecular Formula | C14H7Br3F3N3O4 |
|---|---|
| Molecular Weight | 577.93 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 94.9 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 576.7918 |
| Heavy Atoms | 27 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 63333-35-7 |
|---|---|
| SMILES | CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F)C2=C(C=C(C=C2Br)Br)Br |
| InChIKey | USMZPYXTVKAYST-UHFFFAOYSA-N |
📖 Product Overview
Bromethalin (CAS: 63333-35-7) is a chemical compound with molecular formula C14H7Br3F3N3O4 and molecular weight 577.93 g/mol. Its IUPAC systematic name is N-methyl-2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)aniline.
USMZPYXTVKAYST-UHFFFAOYSA-N.
SMILES: CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F)C2=C(C=C(C=C2Br)Br)Br.
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