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Home > Imidazoles > 123533-90-4
123533-90-4 | 2(5H)-Furanone, 5-[(1-methyl-5-nitro-1H-imidazol-2-yl)methylene]-
CAS No: 123533-90-4 Catalog No: AG000KQR MDL No:
Product Description
Catalog Number:
AG000KQR
Chemical Name:
2(5H)-Furanone, 5-[(1-methyl-5-nitro-1H-imidazol-2-yl)methylene]-
CAS Number:
123533-90-4
Molecular Formula:
C9H7N3O4
Molecular Weight:
221.1696
IUPAC Name:
5-[(1-methyl-5-nitroimidazol-2-yl)methylidene]furan-2-one
InChI:
InChI=1S/C9H7N3O4/c1-11-7(10-5-8(11)12(14)15)4-6-2-3-9(13)16-6/h2-5H,1H3
InChI Key:
PNLBIZRYMSYUFN-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=Cc2ncc(n2C)[N+](=O)[O-])O1
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.172g/mol
Monoisotopic Mass:
221.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.3
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