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89424-17-9 | Ethyl 3-oxo-3-(2-(trifluoromethyl)phenyl)propanoate
CAS No: 89424-17-9 Catalog No: AG003PZA MDL No:MFCD03424820
Product Description
Catalog Number:
AG003PZA
Chemical Name:
Ethyl 3-oxo-3-(2-(trifluoromethyl)phenyl)propanoate
CAS Number:
89424-17-9
Molecular Formula:
C12H11F3O3
Molecular Weight:
260.2091
MDL Number:
MFCD03424820
IUPAC Name:
ethyl 3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate
InChI:
InChI=1S/C12H11F3O3/c1-2-18-11(17)7-10(16)8-5-3-4-6-9(8)12(13,14)15/h3-6H,2,7H2,1H3
InChI Key:
KMPAHDWULITWIH-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1ccccc1C(F)(F)F
Properties
Complexity:
312
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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