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Home > Imidazoles > 117376-97-3
117376-97-3 | 1H-Imidazole, 1-(1-methyl-1-nitroethyl)-
CAS No: 117376-97-3 Catalog No: AG000E7B MDL No:MFCD21336239
Product Description
Catalog Number:
AG000E7B
Chemical Name:
1H-Imidazole, 1-(1-methyl-1-nitroethyl)-
CAS Number:
117376-97-3
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
MDL Number:
MFCD21336239
IUPAC Name:
1-(2-nitropropan-2-yl)imidazole
InChI:
InChI=1S/C6H9N3O2/c1-6(2,9(10)11)8-4-3-7-5-8/h3-5H,1-2H3
InChI Key:
KIDKZODYLWRQFA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(n1cncc1)(C)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.157g/mol
Monoisotopic Mass:
155.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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