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| IUPAC Name: | 4-methylsulfonyl-2-nitrobenzoic acid |
| Description: | 4-(Methylsulfonyl)-2-nitrobenzoic Acid (CAS# 110964-79-9) is a metabolite of Mesotrione. |
| Molecular Weight: | 245.21 |
| Molecular Formula: | C8H7NO6S |
| Canonical SMILES: | CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-] |
| InChI: | InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11) |
| InChI Key: | QNOUABMNRMROSL-UHFFFAOYSA-N |
| Boiling Point: | 497.8 °C at 760 mmHg |
| Density: | 1.576 g/cm3 |
| Appearance: | White to yellow crystalline powder |
| MDL: | MFCD01941299 |
| LogP: | 2.30050 |
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(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
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