4-fluoro-N-[3,4,4-trichloro-2-nitro-1-(1H-1,2,4-triazol-1-yl)buta-1,3-dien-1-yl]aniline
Chemical Structure Depiction of
4-fluoro-N-[3,4,4-trichloro-2-nitro-1-(1H-1,2,4-triazol-1-yl)buta-1,3-dien-1-yl]aniline
4-fluoro-N-[3,4,4-trichloro-2-nitro-1-(1H-1,2,4-triazol-1-yl)buta-1,3-dien-1-yl]aniline
Compound characteristics
| Compound ID: | 4872-0178 |
| Compound Name: | 4-fluoro-N-[3,4,4-trichloro-2-nitro-1-(1H-1,2,4-triazol-1-yl)buta-1,3-dien-1-yl]aniline |
| Molecular Weight: | 378.57 |
| Molecular Formula: | C12 H7 Cl3 F N5 O2 |
| Smiles: | c1cc(ccc1N/C(=C(/C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)n1cncn1)F |
| Stereo: | ACHIRAL |
| logP: | 3.6924 |
| logD: | 0.9641 |
| logSw: | -4.2472 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.411 |
| InChI Key: | CWNFJWOWSFHTRP-ZRDIBKRKSA-N |