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131554-52-4 | 2,4-Thiazolidinedione, 3-[2-(4-chlorophenyl)-2-oxoethyl]-
CAS No: 131554-52-4 Catalog No: AG000ZFA MDL No:
Product Description
Catalog Number:
AG000ZFA
Chemical Name:
2,4-Thiazolidinedione, 3-[2-(4-chlorophenyl)-2-oxoethyl]-
CAS Number:
131554-52-4
Molecular Formula:
C11H8ClNO3S
Molecular Weight:
269.7041
IUPAC Name:
3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C11H8ClNO3S/c12-8-3-1-7(2-4-8)9(14)5-13-10(15)6-17-11(13)16/h1-4H,5-6H2
InChI Key:
NQCDUQZVHYUPEJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)CN1C(=O)CSC1=O
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.991g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.699g/mol
Monoisotopic Mass:
268.991g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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