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Home > Fluorides > 951889-81-9
951889-81-9 | Ethyl 4-(5-Fluoro-2-methoxyphenyl)-4-oxobutanoate
CAS No: 951889-81-9 Catalog No: AG01F9EN MDL No:
Product Description
Catalog Number:
AG01F9EN
Chemical Name:
Ethyl 4-(5-Fluoro-2-methoxyphenyl)-4-oxobutanoate
CAS Number:
951889-81-9
Molecular Formula:
C13H15FO4
Molecular Weight:
254.2542
IUPAC Name:
ethyl 4-(5-fluoro-2-methoxyphenyl)-4-oxobutanoate
InChI:
InChI=1S/C13H15FO4/c1-3-18-13(16)7-5-11(15)10-8-9(14)4-6-12(10)17-2/h4,6,8H,3,5,7H2,1-2H3
InChI Key:
QKOGRSSZACZENF-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)c1cc(F)ccc1OC
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.257g/mol
Monoisotopic Mass:
254.095g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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