Home Other Building Blocks ethyl 3-oxo-3-phenyl-2-(trifluoromethyl)propanoate

ethyl 3-oxo-3-phenyl-2-(trifluoromethyl)propanoate

CAS No.:
142779-90-6
Catalog Number:
AG01EJWM
Molecular Formula:
C12H11F3O3
Molecular Weight:
260.2091
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Product Description
Catalog Number:
AG01EJWM
Chemical Name:
ethyl 3-oxo-3-phenyl-2-(trifluoromethyl)propanoate
CAS Number:
142779-90-6
Molecular Formula:
C12H11F3O3
Molecular Weight:
260.2091
MDL Number:
MFCD22705539
IUPAC Name:
ethyl 2-benzoyl-3,3,3-trifluoropropanoate
InChI:
InChI=1S/C12H11F3O3/c1-2-18-11(17)9(12(13,14)15)10(16)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChI Key:
ACIGNEBKPMVJMT-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(F)(F)F)C(=O)c1ccccc1
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.066g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.212g/mol
Monoisotopic Mass:
260.066g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties