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116146-11-3 | 1H-Imidazole, 1-(2-methylpropyl)-5-phenyl-
CAS No: 116146-11-3 Catalog No: AG000BQR MDL No:
Product Description
Catalog Number:
AG000BQR
Chemical Name:
1H-Imidazole, 1-(2-methylpropyl)-5-phenyl-
CAS Number:
116146-11-3
Molecular Formula:
C13H16N2
Molecular Weight:
200.2795
IUPAC Name:
1-(2-methylpropyl)-5-phenylimidazole
InChI:
InChI=1S/C13H16N2/c1-11(2)9-15-10-14-8-13(15)12-6-4-3-5-7-12/h3-8,10-11H,9H2,1-2H3
InChI Key:
TZXFLVFKDRRXER-UHFFFAOYSA-N
SMILES:
CC(Cn1cncc1c1ccccc1)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.285g/mol
Monoisotopic Mass:
200.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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