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Home > Imidazoles > 89839-29-2
89839-29-2 | Octanoic acid, 8-[(1,4,5-triphenyl-1H-imidazol-2-yl)oxy]-, hexyl ester
CAS No: 89839-29-2 Catalog No: AG003XLU MDL No:
Product Description
Catalog Number:
AG003XLU
Chemical Name:
Octanoic acid, 8-[(1,4,5-triphenyl-1H-imidazol-2-yl)oxy]-, hexyl ester
CAS Number:
89839-29-2
Molecular Formula:
C35H42N2O3
Molecular Weight:
538.7196
IUPAC Name:
hexyl 8-(1,4,5-triphenylimidazol-2-yl)oxyoctanoate
InChI:
InChI=1S/C35H42N2O3/c1-2-3-4-18-27-39-32(38)26-17-6-5-7-19-28-40-35-36-33(29-20-11-8-12-21-29)34(30-22-13-9-14-23-30)37(35)31-24-15-10-16-25-31/h8-16,20-25H,2-7,17-19,26-28H2,1H3
InChI Key:
BEOWOPXJMFBLOS-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)CCCCCCCOc1nc(c(n1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
670
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
538.32g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
538.732g/mol
Monoisotopic Mass:
538.32g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.6
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