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Home Other Building Blocks 4,4,4-Trifluoro-1-(4-fluorophenyl)butane-1,3-dione

4,4,4-Trifluoro-1-(4-fluorophenyl)butane-1,3-dione

CAS No.:
582-65-0
Catalog Number:
AG003KCS
Molecular Formula:
C10H6F4O2
Molecular Weight:
234.1471
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$25
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5g
95%
In Stock USA
United States
$100
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25g
95%
In Stock USA
United States
$300
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100g
95%
In Stock USA
United States
$900
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Product Description
Catalog Number:
AG003KCS
Chemical Name:
4,4,4-Trifluoro-1-(4-fluorophenyl)butane-1,3-dione
CAS Number:
582-65-0
Molecular Formula:
C10H6F4O2
Molecular Weight:
234.1471
MDL Number:
MFCD03419766
IUPAC Name:
4,4,4-trifluoro-1-(4-fluorophenyl)butane-1,3-dione
InChI:
InChI=1S/C10H6F4O2/c11-7-3-1-6(2-4-7)8(15)5-9(16)10(12,13)14/h1-4H,5H2
InChI Key:
KEZLARPKXOHKJS-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(=O)CC(=O)C(F)(F)F
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.03g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.15g/mol
Monoisotopic Mass:
234.03g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
3-(2,4-Dichloro-phen-yl)-5-(4-fluoro-phen-yl)-2-methyl-7-(trifluoro-meth-yl)pyrazolo-[1,5-a]pyrimidine. Acta crystallographica. Section E, Structure reports online 20120501
Bis(pyridine-κN)bis-[4,4,4-trifluoro-1-(4-fluoro-phen-yl)butane-1,3-dionato-κO,O']cobalt(II). Acta crystallographica. Section E, Structure reports online 20080201
Properties