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Home > Nitro Compounds > 23536-26-7
23536-26-7 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(4-nitrophenyl)methylene]-
CAS No: 23536-26-7 Catalog No: AG002NMB MDL No:
Product Description
Catalog Number:
AG002NMB
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(4-nitrophenyl)methylene]-
CAS Number:
23536-26-7
Molecular Formula:
C11H7N3O5
Molecular Weight:
261.1904
IUPAC Name:
5-[(4-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C11H7N3O5/c15-9-8(10(16)13-11(17)12-9)5-6-1-3-7(4-2-6)14(18)19/h1-5H,(H2,12,13,15,16,17)
InChI Key:
FGFXOLJQAAPECN-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(=Cc2ccc(cc2)[N+](=O)[O-])C(=O)N1
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.039g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.193g/mol
Monoisotopic Mass:
261.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Synthesis of barbiturate-based methionine aminopeptidase-1 inhibitors. | Bioorganic & medicinal chemistry letters 20080401 |
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