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Home > Imidazoles > 23571-34-8
23571-34-8 | 1H-Imidazole, 1-methyl-5-(1-methylethyl)-2-nitro-
CAS No: 23571-34-8 Catalog No: AG002NPQ MDL No:
Product Description
Catalog Number:
AG002NPQ
Chemical Name:
1H-Imidazole, 1-methyl-5-(1-methylethyl)-2-nitro-
CAS Number:
23571-34-8
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
IUPAC Name:
1-methyl-2-nitro-5-propan-2-ylimidazole
InChI:
InChI=1S/C7H11N3O2/c1-5(2)6-4-8-7(9(6)3)10(11)12/h4-5H,1-3H3
InChI Key:
NOXMCEHYBLYCTK-UHFFFAOYSA-N
SMILES:
CC(c1cnc(n1C)[N+](=O)[O-])C
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.184g/mol
Monoisotopic Mass:
169.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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