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Home > Imidazoles > 89838-86-8
89838-86-8 | Heptanoic acid, 7-[(1,4,5-triphenyl-1H-imidazol-2-yl)oxy]-, ethyl ester
CAS No: 89838-86-8 Catalog No: AG003XLW MDL No:
Product Description
Catalog Number:
AG003XLW
Chemical Name:
Heptanoic acid, 7-[(1,4,5-triphenyl-1H-imidazol-2-yl)oxy]-, ethyl ester
CAS Number:
89838-86-8
Molecular Formula:
C30H32N2O3
Molecular Weight:
468.5867
IUPAC Name:
ethyl 7-(1,4,5-triphenylimidazol-2-yl)oxyheptanoate
InChI:
InChI=1S/C30H32N2O3/c1-2-34-27(33)22-14-3-4-15-23-35-30-31-28(24-16-8-5-9-17-24)29(25-18-10-6-11-19-25)32(30)26-20-12-7-13-21-26/h5-13,16-21H,2-4,14-15,22-23H2,1H3
InChI Key:
YQMWQRPMJWIRNL-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCOc1nc(c(n1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.241g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
468.597g/mol
Monoisotopic Mass:
468.241g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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