3-bromo-N-[3,4,4-trichloro-2-nitro-1-(1H-pyrazol-1-yl)buta-1,3-dien-1-yl]aniline
Chemical Structure Depiction of
3-bromo-N-[3,4,4-trichloro-2-nitro-1-(1H-pyrazol-1-yl)buta-1,3-dien-1-yl]aniline
3-bromo-N-[3,4,4-trichloro-2-nitro-1-(1H-pyrazol-1-yl)buta-1,3-dien-1-yl]aniline
Compound characteristics
| Compound ID: | 4859-0454 |
| Compound Name: | 3-bromo-N-[3,4,4-trichloro-2-nitro-1-(1H-pyrazol-1-yl)buta-1,3-dien-1-yl]aniline |
| Molecular Weight: | 438.49 |
| Molecular Formula: | C13 H8 Br Cl3 N4 O2 |
| Smiles: | c1cc(cc(c1)[Br])N/C(=C(/C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)n1cccn1 |
| Stereo: | ACHIRAL |
| logP: | 5.18 |
| logD: | 3.0345 |
| logSw: | -5.7413 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.957 |
| InChI Key: | DKKRBYSBWWZUHK-UHFFFAOYSA-N |