HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 66726636Generated: October 23, 2026
6-(1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yloxy)-2-(4-oxopentyloxy)-4-(trifluoromethyl)nicotinonitrile
https://huagongshe.com/en/chemical/66726636
Identifiers & Physical Properties
| Molecular formula | C19H16BF3N2O5 |
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| Average molar mass | 420.1 g/mol |
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| SMILES | CC(=O)CCCOc1nc(Oc2ccc3c(c2)COB3O)cc(C(F)(F)F)c1C#N |
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| InChIKey | NSVZCMUAFBWPEB-UHFFFAOYSA-N |
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| PubChem CID | 66726636 |
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| ChEMBL | CHEMBL3694414 |
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Chemical & Physical Properties
| Topological polar surface area | 102 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 10 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 30 |
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| Formal charge | 0 |
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| Complexity | 658 |
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![6-(1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yloxy)-2-(4-oxopentyloxy)-4-(trifluoromethyl)nicotinonitrile molecular structure](/img/chemical/66726636.png)