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Home > Fluorides > 828935-76-8
828935-76-8 | 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-, compd. with sulfinylbis[methane](1:1)
CAS No: 828935-76-8 Catalog No: AG004VDV MDL No:
Product Description
Catalog Number:
AG004VDV
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-fluoro-, compd. with sulfinylbis[methane](1:1)
CAS Number:
828935-76-8
Molecular Formula:
C6H9FN2O3S
Molecular Weight:
208.2107
IUPAC Name:
5-fluoro-1H-pyrimidine-2,4-dione;methylsulfinylmethane
InChI:
InChI=1S/C4H3FN2O2.C2H6OS/c5-2-1-6-4(9)7-3(2)8;1-4(2)3/h1H,(H2,6,7,8,9);1-2H3
InChI Key:
FAXFJGBICSUCQT-UHFFFAOYSA-N
SMILES:
Fc1c[nH]c(=O)[nH]c1=O.CS(=O)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.032g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.207g/mol
Monoisotopic Mass:
208.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
94.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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