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Home > Imidazoles > 830331-30-1
830331-30-1 | 1H-Benzimidazole, 5-nitro-1-(4-piperidinyl)-
CAS No: 830331-30-1 Catalog No: AG005CPP MDL No:
Product Description
Catalog Number:
AG005CPP
Chemical Name:
1H-Benzimidazole, 5-nitro-1-(4-piperidinyl)-
CAS Number:
830331-30-1
Molecular Formula:
C12H14N4O2
Molecular Weight:
246.2652
IUPAC Name:
5-nitro-1-piperidin-4-ylbenzimidazole
InChI:
InChI=1S/C12H14N4O2/c17-16(18)10-1-2-12-11(7-10)14-8-15(12)9-3-5-13-6-4-9/h1-2,7-9,13H,3-6H2
InChI Key:
JKKIJKMXQVXNIC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)ncn2C1CCNCC1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.112g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.27g/mol
Monoisotopic Mass:
246.112g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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