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392713-93-8 | 2,4-Imidazolidinedione, 5-[(5-nitro-2-furanyl)methylene]-
CAS No: 392713-93-8 Catalog No: AG0075V0 MDL No:
Product Description
Catalog Number:
AG0075V0
Chemical Name:
2,4-Imidazolidinedione, 5-[(5-nitro-2-furanyl)methylene]-
CAS Number:
392713-93-8
Molecular Formula:
C8H5N3O5
Molecular Weight:
223.1424
IUPAC Name:
5-[(5-nitrofuran-2-yl)methylidene]imidazolidine-2,4-dione
InChI:
InChI=1S/C8H5N3O5/c12-7-5(9-8(13)10-7)3-4-1-2-6(16-4)11(14)15/h1-3H,(H2,9,10,12,13)
InChI Key:
QFWCTABYNWDQLY-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(=Cc2ccc(o2)[N+](=O)[O-])N1
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.023g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.144g/mol
Monoisotopic Mass:
223.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.5
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