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Home > Fluorides > 125518-56-1
125518-56-1 | 2,4-Thiazolidinedione, 5-[(4-fluorophenyl)sulfonyl]-
CAS No: 125518-56-1 Catalog No: AG000NTE MDL No:
Product Description
Catalog Number:
AG000NTE
Chemical Name:
2,4-Thiazolidinedione, 5-[(4-fluorophenyl)sulfonyl]-
CAS Number:
125518-56-1
Molecular Formula:
C9H6FNO4S2
Molecular Weight:
275.2766
IUPAC Name:
5-(4-fluorophenyl)sulfonyl-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C9H6FNO4S2/c10-5-1-3-6(4-2-5)17(14,15)8-7(12)11-9(13)16-8/h1-4,8H,(H,11,12,13)
InChI Key:
GZJVMBLYKNJNRE-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)SC1S(=O)(=O)c1ccc(cc1)F
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.972g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.268g/mol
Monoisotopic Mass:
274.972g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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