5-chloro-6-nitro-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
5-chloro-6-nitro-1,3-benzoxazol-2(3H)-one
5-chloro-6-nitro-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | 8018-3420 |
| Compound Name: | 5-chloro-6-nitro-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 214.56 |
| Molecular Formula: | C7 H3 Cl N2 O4 |
| Smiles: | c1c(c(cc2c1OC(N2)=O)[Cl])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9618 |
| logD: | 0.974 |
| logSw: | -3.0416 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.737 |
| InChI Key: | UXRRICZTIWOWDF-UHFFFAOYSA-N |