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Home > Imidazoles > 1803571-77-8
1803571-77-8 | 6-(1H-imidazol-4-yl)-5-nitropiperidin-2-one
CAS No: 1803571-77-8 Catalog No: AG01BAD0 MDL No:MFCD28397599
Product Description
Catalog Number:
AG01BAD0
Chemical Name:
6-(1H-imidazol-4-yl)-5-nitropiperidin-2-one
CAS Number:
1803571-77-8
Molecular Formula:
C8H10N4O3
Molecular Weight:
210.1900
MDL Number:
MFCD28397599
IUPAC Name:
6-(1H-imidazol-5-yl)-5-nitropiperidin-2-one
InChI:
InChI=1S/C8H10N4O3/c13-7-2-1-6(12(14)15)8(11-7)5-3-9-4-10-5/h3-4,6,8H,1-2H2,(H,9,10)(H,11,13)
InChI Key:
NEQRCZKXSLDDDG-UHFFFAOYSA-N
SMILES:
O=C1CCC(C(N1)c1c[nH]cn1)[N+](=O)[O-]
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.193g/mol
Monoisotopic Mass:
210.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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