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Home > Fluorides > 1083402-30-5
1083402-30-5 | 3-[1-(4-Fluoro-phenyl)-5-oxo-pyrrolidin-3-yl]-3-oxo-propionic acid methyl ester
CAS No: 1083402-30-5 Catalog No: AG01F3X4 MDL No:
Product Description
Catalog Number:
AG01F3X4
Chemical Name:
3-[1-(4-Fluoro-phenyl)-5-oxo-pyrrolidin-3-yl]-3-oxo-propionic acid methyl ester
CAS Number:
1083402-30-5
Molecular Formula:
C14H14FNO4
Molecular Weight:
279.2637
IUPAC Name:
methyl 3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-oxopropanoate
InChI:
InChI=1S/C14H14FNO4/c1-20-14(19)7-12(17)9-6-13(18)16(8-9)11-4-2-10(15)3-5-11/h2-5,9H,6-8H2,1H3
InChI Key:
UBCDHORLUJIIEH-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)C1CN(C(=O)C1)c1ccc(cc1)F
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.091g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.267g/mol
Monoisotopic Mass:
279.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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