HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 20220122Generated: November 3, 2026
6-Chloro-5-ethoxycarbonyl-2-methyl-4-(3'-nitrophenyl)-dihydropyrimidine
https://huagongshe.com/en/chemical/20220122
Identifiers & Physical Properties
| Molecular formula | C14H14ClN3O4 |
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| Average molar mass | 323.73 g/mol |
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| Monoisotopic mass | 323.0672836 g/mol |
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| SMILES | CCOC(=O)C1=C(Cl)NC(C)N=C1c1cccc([N+](=O)[O-])c1 |
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| InChIKey | KYJPXNJHDHJCJQ-UHFFFAOYSA-N |
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| PubChem CID | 20220122 |
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Chemical & Physical Properties
| XLogP | 3.2 |
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| Topological polar surface area | 96.5 |
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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 | 22 |
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| Formal charge | 0 |
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| Complexity | 527 |
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