AC1MFIOD
4-(4-bromophenyl)-7-(3-nitrophenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: CBMicro_032245|MixCom6_001909|Oprea1_812973|BIM-0032065.P001|A3562/0151103|2-(4-bromophenyl)-9-(3-nitrophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione|2-(4-bromophenyl)-9-(3-nitrophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione|2-(4-bromophenyl)-9-(3-nitrophenyl)perhydro-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3-dione
| Molecular Formula | C20H17BrN4O4 |
|---|---|
| Molecular Weight | 456.04333 g/mol |
| LogP | 2.8929 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 456.04333 |
| Monoisotopic Mass | 456.04333 |
| Heavy Atoms | 29 |
| Complexity | 1027.3962 |
Chemical Identifiers
| CAS Number | 473575-06-3 |
|---|---|
| SMILES | C1CN2C(C3C(N2C1)C(=O)N(C3=O)C4=CC=C(C=C4)Br)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
AC1MFIOD (CAS 473575-06-3), with molecular formula C20H17BrN4O4 and molecular weight 456.04333 g/mol. IUPAC: 4-(4-bromophenyl)-7-(3-nitrophenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.
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