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Home > Fluorides > 951887-35-7
951887-35-7 | Ethyl 4-(2,3,4,5-tetrafluorophenyl)-4-oxobutanoate
CAS No: 951887-35-7 Catalog No: AG01F956 MDL No:
Product Description
Catalog Number:
AG01F956
Chemical Name:
Ethyl 4-(2,3,4,5-tetrafluorophenyl)-4-oxobutanoate
CAS Number:
951887-35-7
Molecular Formula:
C12H10F4O3
Molecular Weight:
278.1996
IUPAC Name:
ethyl 4-oxo-4-(2,3,4,5-tetrafluorophenyl)butanoate
InChI:
InChI=1S/C12H10F4O3/c1-2-19-9(18)4-3-8(17)6-5-7(13)11(15)12(16)10(6)14/h5H,2-4H2,1H3
InChI Key:
HYLILAJEXVOVPW-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)c1cc(F)c(c(c1F)F)F
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.203g/mol
Monoisotopic Mass:
278.057g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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