N-(2-chloroethyl)-N-methyl-7-nitro-2,1,3-benzoxadiazol-4-amine
Chemical Structure Depiction of
N-(2-chloroethyl)-N-methyl-7-nitro-2,1,3-benzoxadiazol-4-amine
N-(2-chloroethyl)-N-methyl-7-nitro-2,1,3-benzoxadiazol-4-amine
Compound characteristics
| Compound ID: | 8020-6829 |
| Compound Name: | N-(2-chloroethyl)-N-methyl-7-nitro-2,1,3-benzoxadiazol-4-amine |
| Molecular Weight: | 256.65 |
| Molecular Formula: | C9 H9 Cl N4 O3 |
| Smiles: | CN(CC[Cl])c1ccc(c2c1non2)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2347 |
| logD: | 2.2347 |
| logSw: | -2.4946 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 73.083 |
| InChI Key: | IKBYOXJPYRJUMY-UHFFFAOYSA-N |