HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 20508564Generated: October 30, 2026
[6-(o-chlorophenyl)-4H-s-triazolo[4,3-a][1,4]benzodiazepin-8-yl]isocyanate
https://huagongshe.com/en/chemical/20508564
Identifiers & Physical Properties
| Molecular formula | C17H10ClN5O |
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| Average molar mass | 335.7 g/mol |
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| Monoisotopic mass | 335.0573877 g/mol |
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| SMILES | O=C=Nc1ccc2c(c1)C(c1ccccc1Cl)=NCc1nncn1-2 |
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| InChIKey | BHNUDDYINUXWGT-UHFFFAOYSA-N |
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| PubChem CID | 20508564 |
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Chemical & Physical Properties
| XLogP | 2.2 |
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| Topological polar surface area | 72.5 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 24 |
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| Formal charge | 0 |
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| Complexity | 549 |
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![[6-(o-chlorophenyl)-4H-s-triazolo[4,3-a][1,4]benzodiazepin-8-yl]isocyanate molecular structure](/img/chemical/20508564.png)