2-chloro-3-(2,4-dinitroanilino)naphthalene-1,4-dione
Chemical Structure Depiction of
2-chloro-3-(2,4-dinitroanilino)naphthalene-1,4-dione
2-chloro-3-(2,4-dinitroanilino)naphthalene-1,4-dione
Compound characteristics
| Compound ID: | 8020-6768 |
| Compound Name: | 2-chloro-3-(2,4-dinitroanilino)naphthalene-1,4-dione |
| Molecular Weight: | 373.71 |
| Molecular Formula: | C16 H8 Cl N3 O6 |
| Smiles: | c1ccc2C(C(=C(C(c2c1)=O)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9932 |
| logD: | -0.4419 |
| logSw: | -4.5299 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.328 |
| InChI Key: | LRXIEXKHUQKMSZ-UHFFFAOYSA-N |