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Home > Imidazoles > 654653-21-1
654653-21-1 | 1H-Imidazole, 1-[(1S)-1-phenylethyl]-5-[4-(2-propenyloxy)phenyl]-
CAS No: 654653-21-1 Catalog No: AG006Q5W MDL No:
Product Description
Catalog Number:
AG006Q5W
Chemical Name:
1H-Imidazole, 1-[(1S)-1-phenylethyl]-5-[4-(2-propenyloxy)phenyl]-
CAS Number:
654653-21-1
Molecular Formula:
C20H20N2O
Molecular Weight:
304.3856
IUPAC Name:
1-[(1S)-1-phenylethyl]-5-(4-prop-2-enoxyphenyl)imidazole
InChI:
InChI=1S/C20H20N2O/c1-3-13-23-19-11-9-18(10-12-19)20-14-21-15-22(20)16(2)17-7-5-4-6-8-17/h3-12,14-16H,1,13H2,2H3/t16-/m0/s1
InChI Key:
WHHZWXAKQRHXAB-INIZCTEOSA-N
SMILES:
C=CCOc1ccc(cc1)c1cncn1[C@H](c1ccccc1)C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
304.158g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.393g/mol
Monoisotopic Mass:
304.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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