Compound C9H11ClN4O2
7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione
CAS: 5878-61-5
| Molecular Formula | C9H11ClN4O2 |
|---|---|
| Molecular Weight | 242.66 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 58.4 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.05705 |
| Heavy Atoms | 16 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 5878-61-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl |
| InChIKey | QCIARNIKNKKHFH-UHFFFAOYSA-N |
📖 Product Overview
Compound C9H11ClN4O2 (CAS: 5878-61-5) is a chemical compound with molecular formula C9H11ClN4O2 and molecular weight 242.66 g/mol. Its IUPAC systematic name is 7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione.
QCIARNIKNKKHFH-UHFFFAOYSA-N.
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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