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Home > Imidazoles > 86347-52-6
86347-52-6 | 1H-Imidazole, 4-[2-(2,6-dimethylphenyl)-1-methylethenyl]-
CAS No: 86347-52-6 Catalog No: AG004QVP MDL No:
Product Description
Catalog Number:
AG004QVP
Chemical Name:
1H-Imidazole, 4-[2-(2,6-dimethylphenyl)-1-methylethenyl]-
CAS Number:
86347-52-6
Molecular Formula:
C14H16N2
Molecular Weight:
212.2902
IUPAC Name:
5-[1-(2,6-dimethylphenyl)prop-1-en-2-yl]-1H-imidazole
InChI:
InChI=1S/C14H16N2/c1-10-5-4-6-11(2)13(10)7-12(3)14-8-15-9-16-14/h4-9H,1-3H3,(H,15,16)
InChI Key:
LGMTYLOYHNSDNR-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1C=C(c1c[nH]cn1)C)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.296g/mol
Monoisotopic Mass:
212.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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