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Home Sulfos 2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid

2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid

CAS No.:
142994-06-7
Catalog Number:
AG00366O
Molecular Formula:
C9H7F3O4S
Molecular Weight:
268.2097
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$25
- +
1g
98%
In Stock USA
United States
$63
- +
5g
98%
In Stock USA
United States
$195
- +
10g
98%
In Stock USA
United States
$329
- +
Product Description
Catalog Number:
AG00366O
Chemical Name:
2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid
CAS Number:
142994-06-7
Molecular Formula:
C9H7F3O4S
Molecular Weight:
268.2097
MDL Number:
MFCD09037774
IUPAC Name:
2-methylsulfonyl-4-(trifluoromethyl)benzoic acid
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
SMILES:
OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F
UNII:
5W8IAI1FON
Properties
Complexity:
395  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.002g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
268.206g/mol
Monoisotopic Mass:
268.002g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
2-Methyl-sulfonyl-4-(trifluoro-meth-yl)benzoic acid. Acta crystallographica. Section E, Structure reports online 20120601
Degradation of RPA 202248 [U-14C-phenyl]alpha(-(cyclopropylcarbonyl)-2-(methylsulfonyl)-beta-oxo-4-(trifluromethyl)benzenepropanenitrile), the primary degradation product of isoxaflutole, in an outdoor aquatic microcosm system. Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes 20040101
Fate of isoxaflutole in soil under controlled conditions. Journal of agricultural and food chemistry 20030101
Soil metabolism of isoxaflutole in corn. Archives of environmental contamination and toxicology 20020401
Fate of the herbicide isoxaflutole in the soil of corn fields. Mededelingen (Rijksuniversiteit te Gent. Fakulteit van de Landbouwkundige en Toegepaste Biologische Wetenschappen) 20010101
Properties