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Home > Imidazoles > 889944-55-2
889944-55-2 | 6-Nitro-1-(piperidin-4-yl);-1H-benzo[d]imidazol-2(3H);-one
CAS No: 889944-55-2 Catalog No: AG00IFJB MDL No:MFCD07776777
Product Description
Catalog Number:
AG00IFJB
Chemical Name:
6-Nitro-1-(piperidin-4-yl);-1H-benzo[d]imidazol-2(3H);-one
CAS Number:
889944-55-2
Molecular Formula:
C12H14N4O3
Molecular Weight:
262.2646
MDL Number:
MFCD07776777
IUPAC Name:
5-nitro-3-piperidin-4-yl-1H-benzimidazol-2-one
InChI:
InChI=1S/C12H14N4O3/c17-12-14-10-2-1-9(16(18)19)7-11(10)15(12)8-3-5-13-6-4-8/h1-2,7-8,13H,3-6H2,(H,14,17)
InChI Key:
SGCYJJFYPWDRIZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)n(C1CCNCC1)c(=O)[nH]2
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.107g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.269g/mol
Monoisotopic Mass:
262.107g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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