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872725-88-7 | Piperidine, 1-[1-(4-chlorophenyl)-2-methyl-4-nitro-1H-imidazol-5-yl]-
CAS No: 872725-88-7 Catalog No: AG004PGG MDL No:
Product Description
Catalog Number:
AG004PGG
Chemical Name:
Piperidine, 1-[1-(4-chlorophenyl)-2-methyl-4-nitro-1H-imidazol-5-yl]-
CAS Number:
872725-88-7
Molecular Formula:
C15H17ClN4O2
Molecular Weight:
320.7741
IUPAC Name:
1-[3-(4-chlorophenyl)-2-methyl-5-nitroimidazol-4-yl]piperidine
InChI:
InChI=1S/C15H17ClN4O2/c1-11-17-14(20(21)22)15(18-9-3-2-4-10-18)19(11)13-7-5-12(16)6-8-13/h5-8H,2-4,9-10H2,1H3
InChI Key:
DBEQNTKMQYKDOJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1c(C)nc(c1N1CCCCC1)[N+](=O)[O-]
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.104g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.777g/mol
Monoisotopic Mass:
320.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| 1-(4-Chlorophenyl)-2-methyl-4-nitro-5-(1-piperidyl)-1H-imidazole. | Acta crystallographica. Section C, Crystal structure communications 20050801 |
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