AC1MD2L2
2-nitro-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]benzamide
Also Known As: CBDivE_009820|2-nitro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide|F0095-1002|2-nitro-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]benzamide|2-nitro-N-(2,2,2-trichloro-1-(3-(3-nitrophenyl)thioureido)ethyl)benzamide|2-Nitro-N-[2,2,2-trichloro-1-({[(3-nitrophenyl)amino]carbonothioyl}amino)ethyl]benzamide
| Molecular Formula | C16H12Cl3N5O5S |
|---|---|
| Molecular Weight | 490.96246 g/mol |
| LogP | 3.9157 |
| Topological Polar Surface Area | 139.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.96246 |
| Monoisotopic Mass | 490.96246 |
| Heavy Atoms | 30 |
| Complexity | 1001.2313 |
Chemical Identifiers
| CAS Number | 294657-63-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
AC1MD2L2 (CAS 294657-63-9), with molecular formula C16H12Cl3N5O5S and molecular weight 490.96246 g/mol. IUPAC: 2-nitro-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]benzamide.
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