2-methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one
2-methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | 8018-6695 |
| Compound Name: | 2-methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 208.17 |
| Molecular Formula: | C9 H8 N2 O4 |
| Smiles: | CC1C(Nc2cc(ccc2O1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4562 |
| logD: | 1.4547 |
| logSw: | -2.2822 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.228 |
| InChI Key: | JIRMEYNXGZSORX-RXMQYKEDSA-N |