HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 71320249Generated: October 30, 2026
4-[(2-Nitro-3-oxoprop-1-en-1-yl)amino]-2-phenylthiophene-3-carbonitrile
https://huagongshe.com/en/chemical/71320249
Identifiers & Physical Properties
| CAS No. | 88796-51-4 |
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| Molecular formula | C14H9N3O3S |
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| Average molar mass | 299.31 g/mol |
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| Monoisotopic mass | 299.03646233 g/mol |
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| SMILES | N#Cc1c(NC=C(C=O)[N+](=O)[O-])csc1-c1ccccc1 |
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| InChIKey | NIOAONSSYOZQGU-UHFFFAOYSA-N |
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| PubChem CID | 71320249 |
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| DTXSID | DTXSID70750222 |
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Chemical & Physical Properties
| XLogP | 3.2 |
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| Topological polar surface area | 127 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 21 |
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| Formal charge | 0 |
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| Complexity | 474 |
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![4-[(2-Nitro-3-oxoprop-1-en-1-yl)amino]-2-phenylthiophene-3-carbonitrile molecular structure](/img/chemical/71320249.png)