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| IUPAC Name: | 3-nitrofluoranthene |
| Description: | 3-Nitrofluoranthene (CAS# 892-21-7) is a reagent for structure-based design of biaryl mannoside fimH inhibitors for use in urinary infection treatment. |
| Molecular Weight: | 247.25 |
| Molecular Formula: | C16H9NO2 |
| Canonical SMILES: | C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)[N+](=O)[O-] |
| InChI: | InChI=1S/C16H9NO2/c18-17(19)15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H |
| InChI Key: | PIHGQKMEAMSUNA-UHFFFAOYSA-N |
| Boiling Point: | 445.5 °C at 760 mmHg |
| Melting Point: | 157-159 °C (lit.) |
| Purity: | 95 % |
| Density: | 1.422 g/cm3 |
| Appearance: | Gold solid |
| Storage: | 2-8 °C |
| LogP: | 4.91860 |
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