6-bromo-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-yl 2-chloroethyl carbonate
Chemical Structure Depiction of
6-bromo-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-yl 2-chloroethyl carbonate
6-bromo-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-yl 2-chloroethyl carbonate
Compound characteristics
| Compound ID: | 8006-8358 |
| Compound Name: | 6-bromo-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-yl 2-chloroethyl carbonate |
| Molecular Weight: | 398.57 |
| Molecular Formula: | C10 H5 Br Cl N O7 S |
| Smiles: | C(C[Cl])OC(=O)Oc1c(cc2c(c1[N+]([O-])=O)SC(=O)O2)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.4269 |
| logD: | 2.4269 |
| logSw: | -2.7544 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 84.323 |
| InChI Key: | BXUYXGCHMLKIII-UHFFFAOYSA-N |