HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 25123010Generated: October 23, 2026
N-[1-Cyano-2-(4,6-dichloro-2H-benzotriazol-2-yl)-1-methylethyl]-4-tert-butylbenzamide
https://huagongshe.com/en/chemical/25123010
Identifiers & Physical Properties
| Molecular formula | C21H21Cl2N5O |
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| Average molar mass | 430.3 g/mol |
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| SMILES | CC(C#N)(Cn1nc2cc(Cl)cc(Cl)c2n1)NC(=O)c1ccc(C(C)(C)C)cc1 |
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| InChIKey | XJVOCCZETPLHTH-UHFFFAOYSA-N |
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| PubChem CID | 25123010 |
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Chemical & Physical Properties
| XLogP | 5.5 |
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| Topological polar surface area | 83.6 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 29 |
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| Formal charge | 0 |
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| Complexity | 651 |
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