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Home > Imidazoles > 1417794-41-2
1417794-41-2 | 3-Piperidinemethanol, 1-(6-nitro-1H-benzimidazol-2-yl)-
CAS No: 1417794-41-2 Catalog No: AG001H63 MDL No:MFCD22631649
Product Description
Catalog Number:
AG001H63
Chemical Name:
3-Piperidinemethanol, 1-(6-nitro-1H-benzimidazol-2-yl)-
CAS Number:
1417794-41-2
Molecular Formula:
C13H16N4O3
Molecular Weight:
276.2911
MDL Number:
MFCD22631649
IUPAC Name:
[1-(6-nitro-1H-benzimidazol-2-yl)piperidin-3-yl]methanol
InChI:
InChI=1S/C13H16N4O3/c18-8-9-2-1-5-16(7-9)13-14-11-4-3-10(17(19)20)6-12(11)15-13/h3-4,6,9,18H,1-2,5,7-8H2,(H,14,15)
InChI Key:
MBHXVRFNKRFSLZ-UHFFFAOYSA-N
SMILES:
OCC1CCCN(C1)c1nc2c([nH]1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.296g/mol
Monoisotopic Mass:
276.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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