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Home > Fluorides > 128887-33-2
128887-33-2 | 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-[(4-methoxy-3-nitrophenyl)sulfonyl]-
CAS No: 128887-33-2 Catalog No: AG000YGL MDL No:
Product Description
Catalog Number:
AG000YGL
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-[(4-methoxy-3-nitrophenyl)sulfonyl]-
CAS Number:
128887-33-2
Molecular Formula:
C11H8FN3O7S
Molecular Weight:
345.2605
IUPAC Name:
5-fluoro-1-(4-methoxy-3-nitrophenyl)sulfonylpyrimidine-2,4-dione
InChI:
InChI=1S/C11H8FN3O7S/c1-22-9-3-2-6(4-8(9)15(18)19)23(20,21)14-5-7(12)10(16)13-11(14)17/h2-5H,1H3,(H,13,16,17)
InChI Key:
MFQHTDDBOOLAMD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1[N+](=O)[O-])S(=O)(=O)n1cc(F)c(=O)[nH]c1=O
Properties
Complexity:
666
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.007g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.257g/mol
Monoisotopic Mass:
345.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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