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| IUPAC Name: | 2-amino-6-nitrobenzoic acid |
| Description: | 2-Amino-6-nitrobenzoic acid (CAS# 50573-74-5) is the secondary metabolite of dinitrobenzyl glucuronide related to the formation of genotoxic compound of dinitrotoluene in rats. |
| Molecular Weight: | 182.13 |
| Molecular Formula: | C7H6N2O4 |
| Canonical SMILES: | C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)N |
| InChI: | InChI=1S/C7H6N2O4/c8-4-2-1-3-5(9(12)13)6(4)7(10)11/h1-3H,8H2,(H,10,11) |
| InChI Key: | GGKYLHNARFFORH-UHFFFAOYSA-N |
| Boiling Point: | 412.3 ℃ at 760 mmHg |
| Purity: | 98 % |
| Density: | 1.568 g/cm3 |
| MDL: | MFCD00034785 |
| LogP: | 1.97960 |
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