2-(3-chloro-1,3-dinitroprop-2-en-1-ylidene)-5-methyl-2,3-dihydro-1,3-benzoxazole
Chemical Structure Depiction of
2-(3-chloro-1,3-dinitroprop-2-en-1-ylidene)-5-methyl-2,3-dihydro-1,3-benzoxazole
2-(3-chloro-1,3-dinitroprop-2-en-1-ylidene)-5-methyl-2,3-dihydro-1,3-benzoxazole
Compound characteristics
| Compound ID: | 4872-0644 |
| Compound Name: | 2-(3-chloro-1,3-dinitroprop-2-en-1-ylidene)-5-methyl-2,3-dihydro-1,3-benzoxazole |
| Molecular Weight: | 297.65 |
| Molecular Formula: | C11 H8 Cl N3 O5 |
| Smiles: | Cc1ccc2c(c1)N/C(=C(/C=C(/[N+]([O-])=O)[Cl])[N+]([O-])=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.6034 |
| logD: | 2.5676 |
| logSw: | -3.4791 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.873 |
| InChI Key: | DPVICLRTXUOUAC-UHFFFAOYSA-N |