Home Other Building Blocks 4,4,4-Trifluoro-acetoacetic acid tert-butyl ester

4,4,4-Trifluoro-acetoacetic acid tert-butyl ester

CAS No.:
26717-75-9
Catalog Number:
AG019GEM
Molecular Formula:
C8H11F3O3
Molecular Weight:
212.1663
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Product Description
Catalog Number:
AG019GEM
Chemical Name:
4,4,4-Trifluoro-acetoacetic acid tert-butyl ester
CAS Number:
26717-75-9
Molecular Formula:
C8H11F3O3
Molecular Weight:
212.1663
MDL Number:
MFCD00041516
IUPAC Name:
tert-butyl 4,4,4-trifluoro-3-oxobutanoate
InChI:
InChI=1S/C8H11F3O3/c1-7(2,3)14-6(13)4-5(12)8(9,10)11/h4H2,1-3H3
InChI Key:
DRDDHIGPIFREMI-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)CC(=O)C(F)(F)F
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.066g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.168g/mol
Monoisotopic Mass:
212.066g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties