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1151240-88-8 | Benzenebutanoic acid, 2,4,5-trifluoro-β-oxo-, ethyl ester
CAS No: 1151240-88-8 Catalog No: AG000GB3 MDL No:
Product Description
Catalog Number:
AG000GB3
Chemical Name:
Benzenebutanoic acid, 2,4,5-trifluoro-β-oxo-, ethyl ester
CAS Number:
1151240-88-8
Molecular Formula:
C12H11F3O3
Molecular Weight:
260.2091
IUPAC Name:
ethyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate
InChI:
InChI=1S/C12H11F3O3/c1-2-18-12(17)5-8(16)3-7-4-10(14)11(15)6-9(7)13/h4,6H,2-3,5H2,1H3
InChI Key:
WJPYOCIWVYDFDT-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)Cc1cc(F)c(cc1F)F
Properties
Complexity:
309
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:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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