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Home > Fluorides > 842164-52-7
842164-52-7 | 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-, trihydrate
CAS No: 842164-52-7 Catalog No: AG004OPG MDL No:
Product Description
Catalog Number:
AG004OPG
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-fluoro-, trihydrate
CAS Number:
842164-52-7
Molecular Formula:
C4H9FN2O5
Molecular Weight:
184.1231
IUPAC Name:
5-fluoro-1H-pyrimidine-2,4-dione;trihydrate
InChI:
InChI=1S/C4H3FN2O2.3H2O/c5-2-1-6-4(9)7-3(2)8;;;/h1H,(H2,6,7,8,9);3*1H2
InChI Key:
XHBWXCFSJLHKCC-UHFFFAOYSA-N
SMILES:
Fc1c[nH]c(=O)[nH]c1=O.O.O.O
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.05g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
184.123g/mol
Monoisotopic Mass:
184.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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