6-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-yl 2-methylpropyl carbonate
Chemical Structure Depiction of
6-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-yl 2-methylpropyl carbonate
6-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-yl 2-methylpropyl carbonate
Compound characteristics
| Compound ID: | 0665-0074 |
| Compound Name: | 6-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-yl 2-methylpropyl carbonate |
| Molecular Weight: | 347.73 |
| Molecular Formula: | C12 H10 Cl N O7 S |
| Smiles: | CC(C)COC(=O)Oc1c(cc2c(c1[N+]([O-])=O)SC(=O)O2)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.2078 |
| logD: | 3.2078 |
| logSw: | -3.7583 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 84.405 |
| InChI Key: | ABYWBSLZPDWOHP-UHFFFAOYSA-N |