HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 458024Generated: November 3, 2026
2,6-Dibromo-9,11-dimethyl-1,4,9,11-tetrazatricyclo[5.4.0.02,6]undecane-3,5,8,10-tetrone
https://huagongshe.com/en/chemical/458024
Identifiers & Physical Properties
| CAS No. | 75881-10-6 |
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| Molecular formula | C9H8Br2N4O4 |
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| Average molar mass | 395.99 g/mol |
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| Monoisotopic mass | 393.89123 g/mol |
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| SMILES | CN1C(=O)C2N(N(C)C1=O)C1(Br)C(=O)NC(=O)C21Br |
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| InChIKey | XJGAPHQEUCGRST-UHFFFAOYSA-N |
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| PubChem CID | 458024 |
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Chemical & Physical Properties
| XLogP | -0.4 |
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| Topological polar surface area | 90 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 0 |
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| Heavy atoms | 19 |
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| Formal charge | 0 |
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| Complexity | 568 |
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![2,6-Dibromo-9,11-dimethyl-1,4,9,11-tetrazatricyclo[5.4.0.02,6]undecane-3,5,8,10-tetrone molecular structure](/img/chemical/458024.png)