2-hydroxy-7-nitro-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-hydroxy-7-nitro-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one
2-hydroxy-7-nitro-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | 8016-1163 |
| Compound Name: | 2-hydroxy-7-nitro-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 278.14 |
| Molecular Formula: | C9 H5 F3 N2 O5 |
| Smiles: | c1cc2c(cc1[N+]([O-])=O)OC(C(N2)=O)(C(F)(F)F)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6244 |
| logD: | 1.6213 |
| logSw: | -2.278 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.181 |
| InChI Key: | YZRUAOYVUOZCDK-MRVPVSSYSA-N |