Home Sulfos 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzamide

5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzamide

CAS No.:
72178-02-0
Catalog Number:
AG00IC8C
Molecular Formula:
C15H10ClF3N2O6S
Molecular Weight:
438.7629
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%(HPLC)powder
In Stock USA
United States
$294
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Product Description
Catalog Number:
AG00IC8C
Chemical Name:
5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzamide
CAS Number:
72178-02-0
Molecular Formula:
C15H10ClF3N2O6S
Molecular Weight:
438.7629
MDL Number:
MFCD01632756
IUPAC Name:
5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzamide
InChI:
InChI=1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22)
InChI Key:
BGZZWXTVIYUUEY-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1Oc1ccc(c(c1)C(=O)NS(=O)(=O)C)[N+](=O)[O-])C(F)(F)F
EC Number:
276-439-9
UNII:
M0A3U4CDTF
Properties
Complexity:
693  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.99g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
438.758g/mol
Monoisotopic Mass:
437.99g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
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The effect of protoporphyrinogen oxidase inhibitors on microsomal and mitochondrial cytochromes. Obesity research 19951201
Properties