HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 20085196Generated: November 4, 2026
Benzyl 2-(4-chlorophenyl)-2-[(1,2,4-triazol-1-yl)methyl]butyrate
https://huagongshe.com/en/chemical/20085196
Identifiers & Physical Properties
| Molecular formula | C20H20ClN3O2 |
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| Average molar mass | 369.8 g/mol |
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| Monoisotopic mass | 369.1244046 g/mol |
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| SMILES | CCC(Cn1cncn1)(C(=O)OCc1ccccc1)c1ccc(Cl)cc1 |
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| InChIKey | WVZJYUDIFBKDAX-UHFFFAOYSA-N |
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| PubChem CID | 20085196 |
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Chemical & Physical Properties
| XLogP | 4.3 |
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| Topological polar surface area | 57 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 8 |
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| Heavy atoms | 26 |
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| Formal charge | 0 |
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| Complexity | 450 |
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![Benzyl 2-(4-chlorophenyl)-2-[(1,2,4-triazol-1-yl)methyl]butyrate molecular structure](/img/chemical/20085196.png)