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Home > Imidazoles > 73931-91-6
73931-91-6 | Ethanone,2-(1H-imidazol-1-yl)-1-(2,3,4,5,6-pentamethylphenyl)-
CAS No: 73931-91-6 Catalog No: AG005IX4 MDL No:
Product Description
Catalog Number:
AG005IX4
Chemical Name:
Ethanone,2-(1H-imidazol-1-yl)-1-(2,3,4,5,6-pentamethylphenyl)-
CAS Number:
73931-91-6
Molecular Formula:
C16H20N2O
Molecular Weight:
256.3428
IUPAC Name:
2-imidazol-1-yl-1-(2,3,4,5,6-pentamethylphenyl)ethanone
InChI:
InChI=1S/C16H20N2O/c1-10-11(2)13(4)16(14(5)12(10)3)15(19)8-18-7-6-17-9-18/h6-7,9H,8H2,1-5H3
InChI Key:
LQYIHXOXOZEQDM-UHFFFAOYSA-N
SMILES:
O=C(c1c(C)c(C)c(c(c1C)C)C)Cn1cncc1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.158g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.349g/mol
Monoisotopic Mass:
256.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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