HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 69487144Generated: October 26, 2026
[5-(Methyl-propyl-amino)-2-nitro-4-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester
https://huagongshe.com/en/chemical/69487144
Identifiers & Physical Properties
| Molecular formula | C16H22F3N3O4 |
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| Average molar mass | 377.36 g/mol |
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| Monoisotopic mass | 377.15624068 g/mol |
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| SMILES | CCCN(C)c1cc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1C(F)(F)F |
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| InChIKey | KVLYBUAHJPTZFY-UHFFFAOYSA-N |
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| PubChem CID | 69487144 |
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Chemical & Physical Properties
| XLogP | 4.8 |
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| Topological polar surface area | 87.4 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 26 |
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| Formal charge | 0 |
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| Complexity | 502 |
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![[5-(Methyl-propyl-amino)-2-nitro-4-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester molecular structure](/img/chemical/69487144.png)