Home Nitros 4-nitro-1-(propan-2-yl)-1H-imidazole

4-nitro-1-(propan-2-yl)-1H-imidazole

CAS No.:
866251-86-7
Catalog Number:
AG01E28B
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
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Product Description
Catalog Number:
AG01E28B
Chemical Name:
4-nitro-1-(propan-2-yl)-1H-imidazole
CAS Number:
866251-86-7
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
MDL Number:
MFCD07636721
IUPAC Name:
4-nitro-1-propan-2-ylimidazole
InChI:
InChI=1S/C6H9N3O2/c1-5(2)8-3-6(7-4-8)9(10)11/h3-5H,1-2H3
InChI Key:
LXGQVQUYSTYSSX-UHFFFAOYSA-N
SMILES:
CC(n1cnc(c1)[N+](=O)[O-])C
Properties
Complexity:
154  
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:
0.3  
Properties