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Home > Imidazoles > 88138-65-2
88138-65-2 | 1H-Imidazole, 1-[6-(3-methyl-4-nitrophenoxy)hexyl]-
CAS No: 88138-65-2 Catalog No: AG004H4R MDL No:
Product Description
Catalog Number:
AG004H4R
Chemical Name:
1H-Imidazole, 1-[6-(3-methyl-4-nitrophenoxy)hexyl]-
CAS Number:
88138-65-2
Molecular Formula:
C16H21N3O3
Molecular Weight:
303.3562
IUPAC Name:
1-[6-(3-methyl-4-nitrophenoxy)hexyl]imidazole
InChI:
InChI=1S/C16H21N3O3/c1-14-12-15(6-7-16(14)19(20)21)22-11-5-3-2-4-9-18-10-8-17-13-18/h6-8,10,12-13H,2-5,9,11H2,1H3
InChI Key:
RBQQGFQMXAOEON-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1C)OCCCCCCn1cncc1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.158g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.362g/mol
Monoisotopic Mass:
303.158g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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