2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-2,3-dihydro-1H-benzimidazole
Chemical Structure Depiction of
2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-2,3-dihydro-1H-benzimidazole
2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-2,3-dihydro-1H-benzimidazole
Compound characteristics
| Compound ID: | 0250-0045 |
| Compound Name: | 2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-2,3-dihydro-1H-benzimidazole |
| Molecular Weight: | 306.53 |
| Molecular Formula: | C10 H6 Cl3 N3 O2 |
| Smiles: | c1ccc2c(c1)NC(=C(C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)N2 |
| Stereo: | ACHIRAL |
| logP: | 3.9472 |
| logD: | 3.937 |
| logSw: | -4.3291 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.115 |
| InChI Key: | NMWNNVAECBLGFO-UHFFFAOYSA-N |