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Home > Imidazoles > 88138-68-5
88138-68-5 | 1H-Imidazole, 2-methyl-1-[5-(4-nitrophenoxy)pentyl]-
CAS No: 88138-68-5 Catalog No: AG004F2T MDL No:
Product Description
Catalog Number:
AG004F2T
Chemical Name:
1H-Imidazole, 2-methyl-1-[5-(4-nitrophenoxy)pentyl]-
CAS Number:
88138-68-5
Molecular Formula:
C15H19N3O3
Molecular Weight:
289.3297
IUPAC Name:
2-methyl-1-[5-(4-nitrophenoxy)pentyl]imidazole
InChI:
InChI=1S/C15H19N3O3/c1-13-16-9-11-17(13)10-3-2-4-12-21-15-7-5-14(6-8-15)18(19)20/h5-9,11H,2-4,10,12H2,1H3
InChI Key:
NDABTTQSJFWGMV-UHFFFAOYSA-N
SMILES:
Cc1nccn1CCCCCOc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.143g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.335g/mol
Monoisotopic Mass:
289.143g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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