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84636-94-2 | 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1,3-dipentyl-
CAS No: 84636-94-2 Catalog No: AG004Q19 MDL No:
Product Description
Catalog Number:
AG004Q19
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1,3-dipentyl-
CAS Number:
84636-94-2
Molecular Formula:
C14H23FN2O2
Molecular Weight:
270.3430
IUPAC Name:
5-fluoro-1,3-dipentylpyrimidine-2,4-dione
InChI:
InChI=1S/C14H23FN2O2/c1-3-5-7-9-16-11-12(15)13(18)17(14(16)19)10-8-6-4-2/h11H,3-10H2,1-2H3
InChI Key:
AWBZNOWRXXDDMM-UHFFFAOYSA-N
SMILES:
CCCCCn1cc(F)c(=O)n(c1=O)CCCCC
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.174g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.348g/mol
Monoisotopic Mass:
270.174g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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