2-[(5-chloro-2-nitrophenyl)sulfanyl]-1,3-benzoxazole
Chemical Structure Depiction of
2-[(5-chloro-2-nitrophenyl)sulfanyl]-1,3-benzoxazole
2-[(5-chloro-2-nitrophenyl)sulfanyl]-1,3-benzoxazole
Compound characteristics
| Compound ID: | 2369-0694 |
| Compound Name: | 2-[(5-chloro-2-nitrophenyl)sulfanyl]-1,3-benzoxazole |
| Molecular Weight: | 306.72 |
| Molecular Formula: | C13 H7 Cl N2 O3 S |
| Smiles: | c1ccc2c(c1)nc(o2)Sc1cc(ccc1[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6066 |
| logD: | 4.6066 |
| logSw: | -4.8147 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.711 |
| InChI Key: | CODBFXKDLFMXTO-UHFFFAOYSA-N |