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Home > Imidazoles > 870450-91-2
870450-91-2 | 1-(3,5-DIMETHYLPHENYL)-2-METHYL-1H-IMIDAZOLE
CAS No: 870450-91-2 Catalog No: AG004NJ6 MDL No:
Product Description
Catalog Number:
AG004NJ6
Chemical Name:
1-(3,5-DIMETHYLPHENYL)-2-METHYL-1H-IMIDAZOLE
CAS Number:
870450-91-2
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
IUPAC Name:
1-(3,5-dimethylphenyl)-2-methylimidazole
InChI:
InChI=1S/C12H14N2/c1-9-6-10(2)8-12(7-9)14-5-4-13-11(14)3/h4-8H,1-3H3
InChI Key:
NVTYOVFYLNSWMY-UHFFFAOYSA-N
SMILES:
Cc1cc(C)cc(c1)n1ccnc1C
Properties
Complexity:
183
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:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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