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Home > Nitro Compounds > 88419-04-9
88419-04-9 | 2,4-Thiazolidinedione, 3-[2-(4-nitrophenyl)-2-oxoethyl]-
CAS No: 88419-04-9 Catalog No: AG004EWL MDL No:
Product Description
Catalog Number:
AG004EWL
Chemical Name:
2,4-Thiazolidinedione, 3-[2-(4-nitrophenyl)-2-oxoethyl]-
CAS Number:
88419-04-9
Molecular Formula:
C11H8N2O5S
Molecular Weight:
280.2566
IUPAC Name:
3-[2-(4-nitrophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C11H8N2O5S/c14-9(5-12-10(15)6-19-11(12)16)7-1-3-8(4-2-7)13(17)18/h1-4H,5-6H2
InChI Key:
QLRJSLVDLORWMT-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])CN1C(=O)CSC1=O
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.015g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.254g/mol
Monoisotopic Mass:
280.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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