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Home > Imidazoles > 112096-81-8
112096-81-8 | 1H-Imidazole, 2-heptadecyl-4-methyl-5-phenyl-
CAS No: 112096-81-8 Catalog No: AG007UPP MDL No:
Product Description
Catalog Number:
AG007UPP
Chemical Name:
1H-Imidazole, 2-heptadecyl-4-methyl-5-phenyl-
CAS Number:
112096-81-8
Molecular Formula:
C27H44N2
Molecular Weight:
396.6517
IUPAC Name:
2-heptadecyl-5-methyl-4-phenyl-1H-imidazole
InChI:
InChI=1S/C27H44N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-28-24(2)27(29-26)25-21-18-17-19-22-25/h17-19,21-22H,3-16,20,23H2,1-2H3,(H,28,29)
InChI Key:
FVIUAIHDCKAVMD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCc1nc(c([nH]1)c1ccccc1)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.35g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
396.663g/mol
Monoisotopic Mass:
396.35g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.9
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