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78623-48-0 | 1H-Imidazole, 1-[(3-ethenylphenyl)methyl]-2-ethylmethyl-
CAS No: 78623-48-0 Catalog No: AG005K2T MDL No:
Product Description
Catalog Number:
AG005K2T
Chemical Name:
1H-Imidazole, 1-[(3-ethenylphenyl)methyl]-2-ethylmethyl-
CAS Number:
78623-48-0
Molecular Formula:
C15H18N2
Molecular Weight:
226.3168
IUPAC Name:
1-[(3-ethenylphenyl)methyl]-2-ethyl-4-methylimidazole
InChI:
InChI=1S/C15H18N2/c1-4-13-7-6-8-14(9-13)11-17-10-12(3)16-15(17)5-2/h4,6-10H,1,5,11H2,2-3H3
InChI Key:
KYLWEWRUSOCGTG-UHFFFAOYSA-N
SMILES:
CCc1nc(cn1Cc1cccc(c1)C=C)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.323g/mol
Monoisotopic Mass:
226.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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