6-bromo-2-(3-methyl-4-nitrophenyl)-4H-3,1-benzoxazin-4-one
Chemical Structure Depiction of
6-bromo-2-(3-methyl-4-nitrophenyl)-4H-3,1-benzoxazin-4-one
6-bromo-2-(3-methyl-4-nitrophenyl)-4H-3,1-benzoxazin-4-one
Compound characteristics
| Compound ID: | 3952-0283 |
| Compound Name: | 6-bromo-2-(3-methyl-4-nitrophenyl)-4H-3,1-benzoxazin-4-one |
| Molecular Weight: | 361.15 |
| Molecular Formula: | C15 H9 Br N2 O4 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C1=Nc2ccc(cc2C(=O)O1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.9251 |
| logD: | 3.9251 |
| logSw: | -4.1185 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.266 |
| InChI Key: | RLVAOODQHFAZSH-UHFFFAOYSA-N |