6,8-dibromo-2-(3-nitrophenyl)-4H-3,1-benzoxazin-4-one
Chemical Structure Depiction of
6,8-dibromo-2-(3-nitrophenyl)-4H-3,1-benzoxazin-4-one
6,8-dibromo-2-(3-nitrophenyl)-4H-3,1-benzoxazin-4-one
Compound characteristics
Compound ID: | 8006-8266 |
Compound Name: | 6,8-dibromo-2-(3-nitrophenyl)-4H-3,1-benzoxazin-4-one |
Molecular Weight: | 426.02 |
Molecular Formula: | C14 H6 Br2 N2 O4 |
Smiles: | c1cc(cc(c1)[N+]([O-])=O)C1=Nc2c(cc(cc2[Br])[Br])C(=O)O1 |
Stereo: | ACHIRAL |
logP: | 4.5194 |
logD: | 4.5194 |
logSw: | -4.6206 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 61.315 |
InChI Key: | SDGGWQFNEBTYRG-UHFFFAOYSA-N |