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Home > Imidazoles > 89002-68-6
89002-68-6 | 4H-Imidazole, 4,4,5-trimethyl-2-phenyl-
CAS No: 89002-68-6 Catalog No: AG00469Y MDL No:
Product Description
Catalog Number:
AG00469Y
Chemical Name:
4H-Imidazole, 4,4,5-trimethyl-2-phenyl-
CAS Number:
89002-68-6
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
IUPAC Name:
4,4,5-trimethyl-2-phenylimidazole
InChI:
InChI=1S/C12H14N2/c1-9-12(2,3)14-11(13-9)10-7-5-4-6-8-10/h4-8H,1-3H3
InChI Key:
DXXPUDJPYDVBDF-UHFFFAOYSA-N
SMILES:
CC1=NC(=NC1(C)C)c1ccccc1
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.258g/mol
Monoisotopic Mass:
186.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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