propan-2-yl 3,5-dinitro-2-(5H-purin-6-ylsulfanyl)benzoate structure
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Common Name | propan-2-yl 3,5-dinitro-2-(5H-purin-6-ylsulfanyl)benzoate | ||
|---|---|---|---|---|
| CAS Number | 59921-61-8 | Molecular Weight | 404.35700 | |
| Density | 1.72g/cm3 | Boiling Point | 580.9ºC at 760 mmHg | |
| Molecular Formula | C15H12N6O6S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 305.1ºC | |
| Name | propan-2-yl 3,5-dinitro-2-(7H-purin-6-ylsulfanyl)benzoate |
|---|
| Density | 1.72g/cm3 |
|---|---|
| Boiling Point | 580.9ºC at 760 mmHg |
| Molecular Formula | C15H12N6O6S |
| Molecular Weight | 404.35700 |
| Flash Point | 305.1ºC |
| Exact Mass | 404.05400 |
| PSA | 197.70000 |
| LogP | 3.93210 |
| Index of Refraction | 1.767 |
| InChIKey | CAAWIOGGSZEECZ-UHFFFAOYSA-N |
| SMILES | CC(C)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12 |