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Home > Fluorides > 951890-00-9
951890-00-9 | Ethyl 5-(3-Fluoro-4-methoxyphenyl)-5-oxovalerate
CAS No: 951890-00-9 Catalog No: AG01F9OR MDL No:
Product Description
Catalog Number:
AG01F9OR
Chemical Name:
Ethyl 5-(3-Fluoro-4-methoxyphenyl)-5-oxovalerate
CAS Number:
951890-00-9
Molecular Formula:
C14H17FO4
Molecular Weight:
268.2808
IUPAC Name:
ethyl 5-(3-fluoro-4-methoxyphenyl)-5-oxopentanoate
InChI:
InChI=1S/C14H17FO4/c1-3-19-14(17)6-4-5-12(16)10-7-8-13(18-2)11(15)9-10/h7-9H,3-6H2,1-2H3
InChI Key:
BZNUJJHTCDIXDP-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC(=O)c1ccc(c(c1)F)OC
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:
2.3
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