sodium--7a-methoxy-2-methyl-7-nitro-N-oxido-1,3-benzoxazol-5(7aH)-imine N-oxide (1/1)
Chemical Structure Depiction of
sodium--7a-methoxy-2-methyl-7-nitro-N-oxido-1,3-benzoxazol-5(7aH)-imine N-oxide (1/1)
sodium--7a-methoxy-2-methyl-7-nitro-N-oxido-1,3-benzoxazol-5(7aH)-imine N-oxide (1/1)
Compound characteristics
| Compound ID: | 8012-1279 |
| Compound Name: | sodium--7a-methoxy-2-methyl-7-nitro-N-oxido-1,3-benzoxazol-5(7aH)-imine N-oxide (1/1) |
| Molecular Weight: | 277.17 |
| Molecular Formula: | C9 H8 N3 O6 |
| Salt: | Na+ |
| Smiles: | CC1=NC2=CC(C=C(C2(OC)O1)[N+]([O-])=O)=[N+]([O-])[O-] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.4451 |
| logD: | 0.4309 |
| logSw: | -0.6916 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 94.73 |
| InChI Key: | DYRAYWUNQYNCAC-VIFPVBQESA-N |