HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67106943Generated: October 27, 2026
2-Isopropyl-4-nitro-benzoic acid 2-(2-isopropyl-imidazol-1-yl)-ethyl ester
https://huagongshe.com/en/chemical/67106943
Identifiers & Physical Properties
| Molecular formula | C18H23N3O4 |
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| Average molar mass | 345.4 g/mol |
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| SMILES | CC(C)c1cc([N+](=O)[O-])ccc1C(=O)OCCn1ccnc1C(C)C |
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| InChIKey | QHOSFIKQGUFRKN-UHFFFAOYSA-N |
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| PubChem CID | 67106943 |
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Chemical & Physical Properties
| XLogP | 3.6 |
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| Topological polar surface area | 89.9 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 25 |
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| Formal charge | 0 |
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| Complexity | 464 |
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