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Home > Fluorides > 1268006-96-7
1268006-96-7 | Methyl 5-(3-fluoro-4-methoxyphenyl)-5-oxovalerate
CAS No: 1268006-96-7 Catalog No: AG01F989 MDL No:
Product Description
Catalog Number:
AG01F989
Chemical Name:
Methyl 5-(3-fluoro-4-methoxyphenyl)-5-oxovalerate
CAS Number:
1268006-96-7
Molecular Formula:
C13H15FO4
Molecular Weight:
254.2542
IUPAC Name:
methyl 5-(3-fluoro-4-methoxyphenyl)-5-oxopentanoate
InChI:
InChI=1S/C13H15FO4/c1-17-12-7-6-9(8-10(12)14)11(15)4-3-5-13(16)18-2/h6-8H,3-5H2,1-2H3
InChI Key:
MOPYRYSPTVVDHE-UHFFFAOYSA-N
SMILES:
COC(=O)CCCC(=O)c1ccc(c(c1)F)OC
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:
2
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