N-benzyl-4-[bromo(dichloro)methanesulfonyl]-2-nitroaniline
Chemical Structure Depiction of
N-benzyl-4-[bromo(dichloro)methanesulfonyl]-2-nitroaniline
N-benzyl-4-[bromo(dichloro)methanesulfonyl]-2-nitroaniline
Compound characteristics
| Compound ID: | 1327-0027 |
| Compound Name: | N-benzyl-4-[bromo(dichloro)methanesulfonyl]-2-nitroaniline |
| Molecular Weight: | 454.12 |
| Molecular Formula: | C14 H11 Br Cl2 N2 O4 S |
| Smiles: | C(c1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(C([Cl])([Cl])[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5679 |
| logD: | 4.5679 |
| logSw: | -4.6985 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.628 |
| InChI Key: | UEGRKCDZZNYZHY-UHFFFAOYSA-N |