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88159-79-9 | 1H-Imidazole, 1-[6-(4-nitrophenoxy)hexyl]-
CAS No: 88159-79-9 Catalog No: AG004CRJ MDL No:
Product Description
Catalog Number:
AG004CRJ
Chemical Name:
1H-Imidazole, 1-[6-(4-nitrophenoxy)hexyl]-
CAS Number:
88159-79-9
Molecular Formula:
C15H19N3O3
Molecular Weight:
289.3297
IUPAC Name:
1-[6-(4-nitrophenoxy)hexyl]imidazole
InChI:
InChI=1S/C15H19N3O3/c19-18(20)14-5-7-15(8-6-14)21-12-4-2-1-3-10-17-11-9-16-13-17/h5-9,11,13H,1-4,10,12H2
InChI Key:
NZDWVLGYGPBZJH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)OCCCCCCn1cncc1
Properties
Complexity:
301
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:
8
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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