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1017789-55-7 | 1-Piperidineacetic acid, α-(4-fluorophenyl)-4-oxo-, ethyl ester
CAS No: 1017789-55-7 Catalog No: AG0005K0 MDL No:
Product Description
Catalog Number:
AG0005K0
Chemical Name:
1-Piperidineacetic acid, α-(4-fluorophenyl)-4-oxo-, ethyl ester
CAS Number:
1017789-55-7
Molecular Formula:
C15H18FNO3
Molecular Weight:
279.3067
IUPAC Name:
ethyl 2-(4-fluorophenyl)-2-(4-oxopiperidin-1-yl)acetate
InChI:
InChI=1S/C15H18FNO3/c1-2-20-15(19)14(11-3-5-12(16)6-4-11)17-9-7-13(18)8-10-17/h3-6,14H,2,7-10H2,1H3
InChI Key:
WOKYLBIWLJJYBY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccc(cc1)F)N1CCC(=O)CC1
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.311g/mol
Monoisotopic Mass:
279.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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