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| IUPAC Name: | 2-nitrobenzene-1,3-dicarboxylic acid |
| Description: | 2-Nitroisophthalic Acid (CAS# 21161-11-5) is an intermediate in the synthesis of 2,6-Dihydroxymethyl Rilpivirine (D446615), which is an analog of Rilpivirine (R509800) a novel non-nucleoside reverse transcriptase inhibitor. Rilpivirine seems to be well tolerated with less CNS disturbance than Efavirenz, and has non-teratogenic potential. An anti-HIV agent. |
| Molecular Weight: | 211.13 |
| Molecular Formula: | C8H5NO6 |
| Canonical SMILES: | C1=CC(=C(C(=C1)C(=O)O)[N+](=O)[O-])C(=O)O |
| InChI: | InChI=1S/C8H5NO6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13) |
| InChI Key: | CAHWDGJDQYAFHM-UHFFFAOYSA-N |
| Boiling Point: | 473.7 °C at 760 mmHg |
| Density: | 1.671 g/cm3 |
| LogP: | 1.51440 |
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