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Home > Fluorides > 951889-64-8
951889-64-8 | Ethyl 5-(3-Fluoro-2-methylphenyl)-5-oxovalerate
CAS No: 951889-64-8 Catalog No: AG01F9YH MDL No:
Product Description
Catalog Number:
AG01F9YH
Chemical Name:
Ethyl 5-(3-Fluoro-2-methylphenyl)-5-oxovalerate
CAS Number:
951889-64-8
Molecular Formula:
C14H17FO3
Molecular Weight:
252.2814
IUPAC Name:
ethyl 5-(3-fluoro-2-methylphenyl)-5-oxopentanoate
InChI:
InChI=1S/C14H17FO3/c1-3-18-14(17)9-5-8-13(16)11-6-4-7-12(15)10(11)2/h4,6-7H,3,5,8-9H2,1-2H3
InChI Key:
VYYYQULSHLOSET-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC(=O)c1cccc(c1C)F
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.285g/mol
Monoisotopic Mass:
252.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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