sales@angenesci.com
Login | Register
logo
Structures Search
Home Sulfos 2-Nitro-4-methylsulfonylbenzoic acid

2-Nitro-4-methylsulfonylbenzoic acid

CAS No.:
110964-79-9
Catalog Number:
AG0033ES
Molecular Formula:
C8H7NO6S
Molecular Weight:
245.2093
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$75
- +
500g
98%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG0033ES
Chemical Name:
2-Nitro-4-methylsulfonylbenzoic 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
Properties