5-chloro-3-methyl-4,6-dinitro-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
5-chloro-3-methyl-4,6-dinitro-1,3-benzoxazol-2(3H)-one
5-chloro-3-methyl-4,6-dinitro-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | 8020-0185 |
| Compound Name: | 5-chloro-3-methyl-4,6-dinitro-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 273.59 |
| Molecular Formula: | C8 H4 Cl N3 O6 |
| Smiles: | CN1C(=O)Oc2cc(c(c(c12)[N+]([O-])=O)[Cl])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2 |
| logD: | 2 |
| logSw: | -3.1469 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 90.122 |
| InChI Key: | WYCUJAAOXIRJAZ-UHFFFAOYSA-N |