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Home > Fluorides > 951887-41-5
951887-41-5 | Ethyl 6-(2,3,4,5-tetrafluorophenyl)-6-oxohexanoate
CAS No: 951887-41-5 Catalog No: AG01F957 MDL No:
Product Description
Catalog Number:
AG01F957
Chemical Name:
Ethyl 6-(2,3,4,5-tetrafluorophenyl)-6-oxohexanoate
CAS Number:
951887-41-5
Molecular Formula:
C14H14F4O3
Molecular Weight:
306.2528
IUPAC Name:
ethyl 6-oxo-6-(2,3,4,5-tetrafluorophenyl)hexanoate
InChI:
InChI=1S/C14H14F4O3/c1-2-21-11(20)6-4-3-5-10(19)8-7-9(15)13(17)14(18)12(8)16/h7H,2-6H2,1H3
InChI Key:
BXSVISQWJUQXOK-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCC(=O)c1cc(F)c(c(c1F)F)F
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.088g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.257g/mol
Monoisotopic Mass:
306.088g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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