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CLOFENAMIC ACID

CAS No.:
4295-55-0
Catalog Number:
AG01DWFK
Molecular Formula:
C13H9Cl2NO2
Molecular Weight:
282.1221
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Product Description
Catalog Number:
AG01DWFK
Chemical Name:
CLOFENAMIC ACID
CAS Number:
4295-55-0
Molecular Formula:
C13H9Cl2NO2
Molecular Weight:
282.1221
MDL Number:
MFCD00868721
IUPAC Name:
2-(2,3-dichloroanilino)benzoic acid
InChI:
InChI=1S/C13H9Cl2NO2/c14-9-5-3-7-11(12(9)15)16-10-6-2-1-4-8(10)13(17)18/h1-7,16H,(H,17,18)
InChI Key:
JONFYSWOLCTYFK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1Nc1cccc(c1Cl)Cl
EC Number:
224-301-3
UNII:
1X0MUE4C19
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.001g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
282.12g/mol
Monoisotopic Mass:
281.001g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2  
Literature
Title Journal
The triphenyltin(VI) complexes of NSAIDs and derivatives. Synthesis, crystal structure and antiproliferative activity. Potent anticancer agents. Journal of inorganic biochemistry 20110201
Bis{mu-2-[(2,3-dichlorophenyl)amino]benzoato-kappaO}di-mu2-ethoxo-octamethyldi-mu3-oxo-tetratin(IV). Acta crystallographica. Section C, Crystal structure communications 20050901
Thyroid hormone uptake by hepatocytes: structure-activity relationships of phenylanthranilic acids with inhibitory activity. Journal of medicinal chemistry 19930430
Properties