2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-2,3-dihydro-1,3-benzoxazole
Chemical Structure Depiction of
2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-2,3-dihydro-1,3-benzoxazole
2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-2,3-dihydro-1,3-benzoxazole
Compound characteristics
| Compound ID: | 0250-0047 |
| Compound Name: | 2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-2,3-dihydro-1,3-benzoxazole |
| Molecular Weight: | 307.52 |
| Molecular Formula: | C10 H5 Cl3 N2 O3 |
| Smiles: | c1ccc2c(c1)N/C(=C(\C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.9664 |
| logD: | 3.7477 |
| logSw: | -4.4882 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.816 |
| InChI Key: | REFFNUIWWSTIBH-UHFFFAOYSA-N |