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103248-18-6 | 1H-Benzimidazole,6-nitro-1-(1-piperidinylmethyl)-
CAS No: 103248-18-6 Catalog No: AG007HO7 MDL No:
Product Description
Catalog Number:
AG007HO7
Chemical Name:
1H-Benzimidazole,6-nitro-1-(1-piperidinylmethyl)-
CAS Number:
103248-18-6
Molecular Formula:
C13H16N4O2
Molecular Weight:
260.2917
IUPAC Name:
6-nitro-1-(piperidin-1-ylmethyl)benzimidazole
InChI:
InChI=1S/C13H16N4O2/c18-17(19)11-4-5-12-13(8-11)16(9-14-12)10-15-6-2-1-3-7-15/h4-5,8-9H,1-3,6-7,10H2
InChI Key:
WFRNJCRDTRVMHU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)n(CN1CCCCC1)cn2
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.297g/mol
Monoisotopic Mass:
260.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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