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Home > Nitro Compounds > 114371-90-3
114371-90-3 | 4-Thiazolidinone, 2-(4-nitrophenyl)-
CAS No: 114371-90-3 Catalog No: AG000B74 MDL No:
Product Description
Catalog Number:
AG000B74
Chemical Name:
4-Thiazolidinone, 2-(4-nitrophenyl)-
CAS Number:
114371-90-3
Molecular Formula:
C9H8N2O3S
Molecular Weight:
224.2364
IUPAC Name:
2-(4-nitrophenyl)-1,3-thiazolidin-4-one
InChI:
InChI=1S/C9H8N2O3S/c12-8-5-15-9(10-8)6-1-3-7(4-2-6)11(13)14/h1-4,9H,5H2,(H,10,12)
InChI Key:
OQEWLSXSJMIMOM-UHFFFAOYSA-N
SMILES:
O=C1CSC(N1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.234g/mol
Monoisotopic Mass:
224.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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