N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]aniline
Chemical Structure Depiction of
N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]aniline
N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]aniline
Compound characteristics
| Compound ID: | 0819-1009 |
| Compound Name: | N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]aniline |
| Molecular Weight: | 410.64 |
| Molecular Formula: | C16 H10 Cl3 N5 O2 |
| Smiles: | c1ccc(cc1)N/C(=C(/C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)n1c2ccccc2nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.8757 |
| logD: | 4.7889 |
| logSw: | -5.0076 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.144 |
| InChI Key: | OCLTUCSDONCSGO-UHFFFAOYSA-N |