Home Other Building Blocks ethyl 2,4-dioxo-4-[3-(trifluoromethyl)phenyl]butanoate

ethyl 2,4-dioxo-4-[3-(trifluoromethyl)phenyl]butanoate

CAS No.:
737772-45-1
Catalog Number:
AG01AJW5
Molecular Formula:
C13H11F3O4
Molecular Weight:
288.2192
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Product Description
Catalog Number:
AG01AJW5
Chemical Name:
ethyl 2,4-dioxo-4-[3-(trifluoromethyl)phenyl]butanoate
CAS Number:
737772-45-1
Molecular Formula:
C13H11F3O4
Molecular Weight:
288.2192
MDL Number:
MFCD11046244
IUPAC Name:
ethyl 2,4-dioxo-4-[3-(trifluoromethyl)phenyl]butanoate
InChI:
InChI=1S/C13H11F3O4/c1-2-20-12(19)11(18)7-10(17)8-4-3-5-9(6-8)13(14,15)16/h3-6H,2,7H2,1H3
InChI Key:
SMRXWQFVAQRZKU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)CC(=O)c1cccc(c1)C(F)(F)F
Properties
Complexity:
390  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.061g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.222g/mol
Monoisotopic Mass:
288.061g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties