HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 13232255Generated: October 27, 2026
5-Cyano-6-methyl-1-(2,4,6-trichloroanilino)-2,4-pyrimidinedione
https://huagongshe.com/en/chemical/13232255
Identifiers & Physical Properties
| Molecular formula | C12H7Cl3N4O2 |
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| Average molar mass | 345.6 g/mol |
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| Monoisotopic mass | 343.963459 g/mol |
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| SMILES | Cc1c(C#N)c(=O)[nH]c(=O)n1Nc1c(Cl)cc(Cl)cc1Cl |
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| InChIKey | QRVVNCIMVIDXCS-UHFFFAOYSA-N |
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| PubChem CID | 13232255 |
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Chemical & Physical Properties
| XLogP | 3.3 |
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| Topological polar surface area | 85.2 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 21 |
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| Formal charge | 0 |
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| Complexity | 544 |
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