2-(3-chloro-1,3-dinitroprop-2-en-1-ylidene)-2,3-dihydro-1H-benzimidazole
Chemical Structure Depiction of
2-(3-chloro-1,3-dinitroprop-2-en-1-ylidene)-2,3-dihydro-1H-benzimidazole
2-(3-chloro-1,3-dinitroprop-2-en-1-ylidene)-2,3-dihydro-1H-benzimidazole
Compound characteristics
| Compound ID: | 0250-0046 |
| Compound Name: | 2-(3-chloro-1,3-dinitroprop-2-en-1-ylidene)-2,3-dihydro-1H-benzimidazole |
| Molecular Weight: | 282.64 |
| Molecular Formula: | C10 H7 Cl N4 O4 |
| Smiles: | C(=C(/[N+]([O-])=O)[Cl])/C(=C1Nc2ccccc2N1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.35 |
| logD: | 2.3479 |
| logSw: | -3.1926 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.172 |
| InChI Key: | OQTBGTQYMKJGSD-UHFFFAOYSA-N |