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Home > Imidazoles > 88138-62-9
88138-62-9 | 1H-Imidazole, 1-[8-(4-nitrophenoxy)octyl]-
CAS No: 88138-62-9 Catalog No: AG004H4S MDL No:
Product Description
Catalog Number:
AG004H4S
Chemical Name:
1H-Imidazole, 1-[8-(4-nitrophenoxy)octyl]-
CAS Number:
88138-62-9
Molecular Formula:
C17H23N3O3
Molecular Weight:
317.3828
IUPAC Name:
1-[8-(4-nitrophenoxy)octyl]imidazole
InChI:
InChI=1S/C17H23N3O3/c21-20(22)16-7-9-17(10-8-16)23-14-6-4-2-1-3-5-12-19-13-11-18-15-19/h7-11,13,15H,1-6,12,14H2
InChI Key:
ZARZFGHDSITXOZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)OCCCCCCCCn1ccnc1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.174g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.389g/mol
Monoisotopic Mass:
317.174g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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