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Home > Imidazoles > 102792-10-9
102792-10-9 | 1H-Imidazole, 2,4-dimethyl-1-(3-methyl-4-nitrophenyl)-
CAS No: 102792-10-9 Catalog No: AG0086AY MDL No:
Product Description
Catalog Number:
AG0086AY
Chemical Name:
1H-Imidazole, 2,4-dimethyl-1-(3-methyl-4-nitrophenyl)-
CAS Number:
102792-10-9
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
IUPAC Name:
2,4-dimethyl-1-(3-methyl-4-nitrophenyl)imidazole
InChI:
InChI=1S/C12H13N3O2/c1-8-6-11(4-5-12(8)15(16)17)14-7-9(2)13-10(14)3/h4-7H,1-3H3
InChI Key:
XWMQLIUJOLXRRV-UHFFFAOYSA-N
SMILES:
Cc1cn(c(n1)C)c1ccc(c(c1)C)[N+](=O)[O-]
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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