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Home > Nitro Compounds > 110964-79-9
110964-79-9 | 4-(Methylsulfonyl)-2-nitrobenzoic acid
CAS No: 110964-79-9 Catalog No: AG0033ES MDL No:MFCD01941299
Product Description
Catalog Number:
AG0033ES
Chemical Name:
4-(Methylsulfonyl)-2-nitrobenzoic acid
CAS Number:
110964-79-9
Molecular Formula:
C8H7NO6S
Molecular Weight:
245.2093
MDL Number:
MFCD01941299
IUPAC Name:
4-methylsulfonyl-2-nitrobenzoic acid
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
SMILES:
[O-][N+](=O)c1cc(ccc1C(=O)O)S(=O)(=O)C
EC Number:
601-017-1
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.999g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.205g/mol
Monoisotopic Mass:
244.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Degradation and mineralization of sulcotrione and mesotrione in aqueous medium by the electro-Fenton process: a kinetic study. | Environmental science and pollution research international 20120601 |
| Isolation of mesotrione-degrading bacteria from aquatic environments in Brazil. | Chemosphere 20120301 |
| Kinetic and mechanistic investigations of mesotrione degradation in aqueous medium by Fenton process. | Journal of hazardous materials 20110515 |
| Methyl 4-methyl-sulfonyl-2-nitro-benzoate. | Acta crystallographica. Section E, Structure reports online 20100701 |
| Solid-phase fluoroimmunoassay for the determination of mesotrione--a novel triketone herbicide--in water with direct measurement of the fluorescence onto the solid support. | The Analyst 20030401 |
| Determination of mesotrione residues and metabolites in crops, soil, and water by liquid chromatography with fluorescence detection. | Journal of agricultural and food chemistry 20020703 |
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