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Home > Nitro Compounds > 86128-62-3
86128-62-3 | 4-Thiazolidinone, 2-methyl-3-(4-nitrophenyl)-2-phenyl-
CAS No: 86128-62-3 Catalog No: AG004P2R MDL No:
Product Description
Catalog Number:
AG004P2R
Chemical Name:
4-Thiazolidinone, 2-methyl-3-(4-nitrophenyl)-2-phenyl-
CAS Number:
86128-62-3
Molecular Formula:
C16H14N2O3S
Molecular Weight:
314.3590
IUPAC Name:
2-methyl-3-(4-nitrophenyl)-2-phenyl-1,3-thiazolidin-4-one
InChI:
InChI=1S/C16H14N2O3S/c1-16(12-5-3-2-4-6-12)17(15(19)11-22-16)13-7-9-14(10-8-13)18(20)21/h2-10H,11H2,1H3
InChI Key:
AKVONDCTOJJLRY-UHFFFAOYSA-N
SMILES:
O=C1CSC(N1c1ccc(cc1)[N+](=O)[O-])(C)c1ccccc1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.073g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.359g/mol
Monoisotopic Mass:
314.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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