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Home > Fluorides > 128887-35-4
128887-35-4 | 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-[(3-nitro-4-propoxyphenyl)sulfonyl]-
CAS No: 128887-35-4 Catalog No: AG000YGK MDL No:
Product Description
Catalog Number:
AG000YGK
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-[(3-nitro-4-propoxyphenyl)sulfonyl]-
CAS Number:
128887-35-4
Molecular Formula:
C13H12FN3O7S
Molecular Weight:
373.3137
IUPAC Name:
5-fluoro-1-(3-nitro-4-propoxyphenyl)sulfonylpyrimidine-2,4-dione
InChI:
InChI=1S/C13H12FN3O7S/c1-2-5-24-11-4-3-8(6-10(11)17(20)21)25(22,23)16-7-9(14)12(18)15-13(16)19/h3-4,6-7H,2,5H2,1H3,(H,15,18,19)
InChI Key:
RCEHOLIATAHQOL-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1[N+](=O)[O-])S(=O)(=O)n1cc(F)c(=O)[nH]c1=O
Properties
Complexity:
697
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.038g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.311g/mol
Monoisotopic Mass:
373.038g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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