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Home Halogens N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxobutanamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxobutanamide

CAS No.:
392721-37-8
Catalog Number:
AG00CN84
Molecular Formula:
C11H9ClF3NO2
Molecular Weight:
279.6429
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Product Description
Catalog Number:
AG00CN84
Chemical Name:
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxobutanamide
CAS Number:
392721-37-8
Molecular Formula:
C11H9ClF3NO2
Molecular Weight:
279.6429
MDL Number:
MFCD01001285
IUPAC Name:
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxobutanamide
InChI:
InChI=1S/C11H9ClF3NO2/c1-6(17)4-10(18)16-7-2-3-9(12)8(5-7)11(13,14)15/h2-3,5H,4H2,1H3,(H,16,18)
InChI Key:
GNYIJZMBLZXJEJ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c(c1)C(F)(F)F)Cl)CC(=O)C
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.027g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
279.643g/mol
Monoisotopic Mass:
279.027g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Glucose transporters in cancer metabolism. Current opinion in oncology 20121101
A novel inhibitor of glucose uptake sensitizes cells to FAS-induced cell death. Molecular cancer therapeutics 20081101
Properties