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Home > Imidazoles > 1803561-28-5
1803561-28-5 | 6-(1-methyl-1H-imidazol-5-yl)-5-nitropiperidin-2-one
CAS No: 1803561-28-5 Catalog No: AG01B9Z0 MDL No:MFCD28505712
Product Description
Catalog Number:
AG01B9Z0
Chemical Name:
6-(1-methyl-1H-imidazol-5-yl)-5-nitropiperidin-2-one
CAS Number:
1803561-28-5
Molecular Formula:
C9H12N4O3
Molecular Weight:
224.2166
MDL Number:
MFCD28505712
IUPAC Name:
6-(3-methylimidazol-4-yl)-5-nitropiperidin-2-one
InChI:
InChI=1S/C9H12N4O3/c1-12-5-10-4-7(12)9-6(13(15)16)2-3-8(14)11-9/h4-6,9H,2-3H2,1H3,(H,11,14)
InChI Key:
QOJPYSLYWOBUDP-UHFFFAOYSA-N
SMILES:
O=C1CCC(C(N1)c1cncn1C)[N+](=O)[O-]
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.091g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.22g/mol
Monoisotopic Mass:
224.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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