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Home Halogens Ethyl 2-chloro-4,4,4-trifluoroacetoacetate

Ethyl 2-chloro-4,4,4-trifluoroacetoacetate

CAS No.:
363-58-6
Catalog Number:
AG0034UG
Molecular Formula:
C6H6ClF3O3
Molecular Weight:
218.5582
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
90%
In Stock USA
United States
$19
- +
5g
98%(GC)
In Stock USA
United States
$85
- +
25g
98%(GC)
In Stock USA
United States
$205
- +
100g
98%(GC)
In Stock USA
United States
$612
- +
Product Description
Catalog Number:
AG0034UG
Chemical Name:
Ethyl 2-chloro-4,4,4-trifluoroacetoacetate
CAS Number:
363-58-6
Molecular Formula:
C6H6ClF3O3
Molecular Weight:
218.5582
MDL Number:
MFCD00041540
IUPAC Name:
ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate
InChI:
InChI=1S/C6H6ClF3O3/c1-2-13-5(12)3(7)4(11)6(8,9)10/h3H,2H2,1H3
InChI Key:
YVWUNJVPOCYLIM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)C(F)(F)F)Cl
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.996g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.556g/mol
Monoisotopic Mass:
217.996g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties