HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 58110313Generated: November 4, 2026
3-Iodo-5-methyl-pyrazole-1-carboxylic acid tert-butyl ester
https://huagongshe.com/en/chemical/58110313
Identifiers & Physical Properties
| Molecular formula | C9H13IN2O2 |
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| Average molar mass | 308.12 g/mol |
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| Monoisotopic mass | 308.00218 g/mol |
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| SMILES | Cc1cc(I)nn1C(=O)OC(C)(C)C |
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| InChIKey | TVZQXHNMYKNOMH-UHFFFAOYSA-N |
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| PubChem CID | 58110313 |
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Chemical & Physical Properties
| XLogP | 2.6 |
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| Topological polar surface area | 44.1 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 14 |
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| Formal charge | 0 |
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| Complexity | 227 |
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