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Home > Fluorides > 951887-47-1
951887-47-1 | Ethyl 8-(2,3,4,5-tetrafluorophenyl)-8-oxooctanoate
CAS No: 951887-47-1 Catalog No: AG01F958 MDL No:
Product Description
Catalog Number:
AG01F958
Chemical Name:
Ethyl 8-(2,3,4,5-tetrafluorophenyl)-8-oxooctanoate
CAS Number:
951887-47-1
Molecular Formula:
C16H18F4O3
Molecular Weight:
334.3059
IUPAC Name:
ethyl 8-oxo-8-(2,3,4,5-tetrafluorophenyl)octanoate
InChI:
InChI=1S/C16H18F4O3/c1-2-23-13(22)8-6-4-3-5-7-12(21)10-9-11(17)15(19)16(20)14(10)18/h9H,2-8H2,1H3
InChI Key:
YVULSTKNJSESHF-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCC(=O)c1cc(F)c(c(c1F)F)F
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.119g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.311g/mol
Monoisotopic Mass:
334.119g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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