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141479-30-3 | 2,4-Thiazolidinedione, 5-[(2-chloro-6-fluorophenyl)methylene]-
CAS No: 141479-30-3 Catalog No: AG001GFX MDL No:
Product Description
Catalog Number:
AG001GFX
Chemical Name:
2,4-Thiazolidinedione, 5-[(2-chloro-6-fluorophenyl)methylene]-
CAS Number:
141479-30-3
Molecular Formula:
C10H5ClFNO2S
Molecular Weight:
257.6686
IUPAC Name:
5-[(2-chloro-6-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C10H5ClFNO2S/c11-6-2-1-3-7(12)5(6)4-8-9(14)13-10(15)16-8/h1-4H,(H,13,14,15)
InChI Key:
WXXWPWROXLXBGE-UHFFFAOYSA-N
SMILES:
O=C1SC(=Cc2c(F)cccc2Cl)C(=O)N1
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.971g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.663g/mol
Monoisotopic Mass:
256.971g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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