N-[3-(chloromethyl)-7-nitro-1,2-benzoxazol-5-yl]acetamide
Chemical Structure Depiction of
N-[3-(chloromethyl)-7-nitro-1,2-benzoxazol-5-yl]acetamide
N-[3-(chloromethyl)-7-nitro-1,2-benzoxazol-5-yl]acetamide
Compound characteristics
| Compound ID: | 8020-5442 |
| Compound Name: | N-[3-(chloromethyl)-7-nitro-1,2-benzoxazol-5-yl]acetamide |
| Molecular Weight: | 269.64 |
| Molecular Formula: | C10 H8 Cl N3 O4 |
| Smiles: | CC(Nc1cc(c2c(c1)c(C[Cl])no2)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5832 |
| logD: | 1.5669 |
| logSw: | -2.4276 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.508 |
| InChI Key: | UKIPRRKNWCKXAQ-UHFFFAOYSA-N |