Home Carbonyls 2-{[2-nitro-4-(trifluoromethyl)phenyl]carbonyl}cyclohexane-1,3-dione

2-{[2-nitro-4-(trifluoromethyl)phenyl]carbonyl}cyclohexane-1,3-dione

CAS No.:
104206-65-7
Catalog Number:
AG003ESK
Molecular Formula:
C14H10F3NO5
Molecular Weight:
329.2281
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
>98%(HPLC)powder
In Stock USA
United States
$72
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1g
95%
In Stock USA
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$113
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5g
95%
In Stock USA
United States
$350
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10g
95%
In Stock USA
United States
$582
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25g
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In Stock USA
United States
$1169
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100g
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$3094
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Product Description
Catalog Number:
AG003ESK
Chemical Name:
2-{[2-nitro-4-(trifluoromethyl)phenyl]carbonyl}cyclohexane-1,3-dione
CAS Number:
104206-65-7
Molecular Formula:
C14H10F3NO5
Molecular Weight:
329.2281
MDL Number:
MFCD01752192
IUPAC Name:
2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione
InChI:
InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2
InChI Key:
OUBCNLGXQFSTLU-UHFFFAOYSA-N
SMILES:
O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
UNII:
K5BN214699
Properties
Complexity:
524  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.051g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.231g/mol
Monoisotopic Mass:
329.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
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Properties