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Home > Fluorides > 128380-99-4
128380-99-4 | 2,4(1H,3H)-Pyrimidinedione, 6-fluoro-1-methyl-
CAS No: 128380-99-4 Catalog No: AG000Y1C MDL No:
Product Description
Catalog Number:
AG000Y1C
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-fluoro-1-methyl-
CAS Number:
128380-99-4
Molecular Formula:
C5H5FN2O2
Molecular Weight:
144.1038
IUPAC Name:
6-fluoro-1-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C5H5FN2O2/c1-8-3(6)2-4(9)7-5(8)10/h2H,1H3,(H,7,9,10)
InChI Key:
JRCWBJMYAFIDCM-UHFFFAOYSA-N
SMILES:
Cn1c(F)cc(=O)[nH]c1=O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.034g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.105g/mol
Monoisotopic Mass:
144.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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