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Home > Fluorides > 951887-44-8
951887-44-8 | Ethyl 7-(2,3,4,5-tetrafluorophenyl)-7-oxoheptanoate
CAS No: 951887-44-8 Catalog No: AG01F8WT MDL No:
Product Description
Catalog Number:
AG01F8WT
Chemical Name:
Ethyl 7-(2,3,4,5-tetrafluorophenyl)-7-oxoheptanoate
CAS Number:
951887-44-8
Molecular Formula:
C15H16F4O3
Molecular Weight:
320.2794
IUPAC Name:
ethyl 7-oxo-7-(2,3,4,5-tetrafluorophenyl)heptanoate
InChI:
InChI=1S/C15H16F4O3/c1-2-22-12(21)7-5-3-4-6-11(20)9-8-10(16)14(18)15(19)13(9)17/h8H,2-7H2,1H3
InChI Key:
KFVXZIZFESYBMM-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCC(=O)c1cc(F)c(c(c1F)F)F
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.104g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.284g/mol
Monoisotopic Mass:
320.104g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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