Home Other Building Blocks ethyl 2-[3-(trifluoromethyl)benzoyl]butanoate

ethyl 2-[3-(trifluoromethyl)benzoyl]butanoate

CAS No.:
1304404-62-3
Catalog Number:
AG01A2I6
Molecular Formula:
C14H15F3O3
Molecular Weight:
288.2623
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Product Description
Catalog Number:
AG01A2I6
Chemical Name:
ethyl 2-[3-(trifluoromethyl)benzoyl]butanoate
CAS Number:
1304404-62-3
Molecular Formula:
C14H15F3O3
Molecular Weight:
288.2623
MDL Number:
MFCD22578594
IUPAC Name:
ethyl 2-[3-(trifluoromethyl)benzoyl]butanoate
InChI:
InChI=1S/C14H15F3O3/c1-3-11(13(19)20-4-2)12(18)9-6-5-7-10(8-9)14(15,16)17/h5-8,11H,3-4H2,1-2H3
InChI Key:
SAQCFLCFBPSEHW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)c1cccc(c1)C(F)(F)F)CC
Properties
Complexity:
352  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.097g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.266g/mol
Monoisotopic Mass:
288.097g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties