HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 69194529Generated: October 23, 2026
2-(4-Tert-butyl-benzoylamino)-4-nitro-benzoic acid methyl ester
https://huagongshe.com/en/chemical/69194529
Identifiers & Physical Properties
| Molecular formula | C19H20N2O5 |
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| Average molar mass | 356.4 g/mol |
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| SMILES | COC(=O)c1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(C)(C)C)cc1 |
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| InChIKey | ZVHWGTNZYKAGMO-UHFFFAOYSA-N |
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| PubChem CID | 69194529 |
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Chemical & Physical Properties
| XLogP | 4.7 |
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| Topological polar surface area | 101 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 26 |
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| Formal charge | 0 |
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| Complexity | 529 |
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