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Home > Fluorides > 951889-85-3
951889-85-3 | Ethyl 5-(5-Fluoro-2-methoxyphenyl)-5-oxovalerate
CAS No: 951889-85-3 Catalog No: AG01F9OP MDL No:
Product Description
Catalog Number:
AG01F9OP
Chemical Name:
Ethyl 5-(5-Fluoro-2-methoxyphenyl)-5-oxovalerate
CAS Number:
951889-85-3
Molecular Formula:
C14H17FO4
Molecular Weight:
268.2808
IUPAC Name:
ethyl 5-(5-fluoro-2-methoxyphenyl)-5-oxopentanoate
InChI:
InChI=1S/C14H17FO4/c1-3-19-14(17)6-4-5-12(16)11-9-10(15)7-8-13(11)18-2/h7-9H,3-6H2,1-2H3
InChI Key:
DDWIRQHLNCJYTJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC(=O)c1cc(F)ccc1OC
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.284g/mol
Monoisotopic Mass:
268.111g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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