HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 53958905Generated: October 27, 2026
2-(2-Nitro-4-trifluoromethylphenoxy)-4-(1,1-dimethylpropyl)benzene
https://huagongshe.com/en/chemical/53958905
Identifiers & Physical Properties
| Molecular formula | C18H18F3NO3 |
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| Average molar mass | 353.3 g/mol |
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| SMILES | CCC(C)(C)c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 |
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| InChIKey | JJOLQQNSXYJWCM-UHFFFAOYSA-N |
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| PubChem CID | 53958905 |
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Chemical & Physical Properties
| XLogP | 6 |
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| Topological polar surface area | 55.1 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 25 |
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| Formal charge | 0 |
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| Complexity | 461 |
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