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117365-07-8 | 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(1-oxo-3-phenyl-2-propen-1-yl)-
CAS No: 117365-07-8 Catalog No: AG000E6E MDL No:
Product Description
Catalog Number:
AG000E6E
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(1-oxo-3-phenyl-2-propen-1-yl)-
CAS Number:
117365-07-8
Molecular Formula:
C13H9FN2O3
Molecular Weight:
260.2206
IUPAC Name:
5-fluoro-1-(3-phenylprop-2-enoyl)pyrimidine-2,4-dione
InChI:
InChI=1S/C13H9FN2O3/c14-10-8-16(13(19)15-12(10)18)11(17)7-6-9-4-2-1-3-5-9/h1-8H,(H,15,18,19)
InChI Key:
NQUAZECJCGDJOE-UHFFFAOYSA-N
SMILES:
O=C(n1cc(F)c(=O)[nH]c1=O)C=Cc1ccccc1
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.06g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.224g/mol
Monoisotopic Mass:
260.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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