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| IUPAC Name: | 2-methylsulfonyl-4-(trifluoromethyl)benzoic acid |
| Description: | 2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic Acid (CAS# 142994-06-7) is a Benzoic acid (B203900) derivative and is also a metabolite of Isoxaflutole (I918140), a herbicide used for the control of broadleaf and grass weeds in corn and sugarcane crops. |
| Molecular Weight: | 268.21 |
| Molecular Formula: | C9H7F3O4S |
| Canonical SMILES: | CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)O |
| InChI: | InChI=1S/C9H7F3O4S/c1-17(15,16)7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14) |
| InChI Key: | OGYBDKOCZVSHQI-UHFFFAOYSA-N |
| Boiling Point: | 416.6 °C at 760 mmHg |
| Density: | 1.513 g/cm3 |
| MDL: | MFCD09037774 |
| LogP: | 2.88790 |
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