Home Nitriles 2-Methyl-2-(5-nitropyridin-2-yl)propanenitrile

2-Methyl-2-(5-nitropyridin-2-yl)propanenitrile

CAS No.:
1256633-31-4
Catalog Number:
AG000OB8
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$125
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Product Description
Catalog Number:
AG000OB8
Chemical Name:
2-Methyl-2-(5-nitropyridin-2-yl)propanenitrile
CAS Number:
1256633-31-4
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
MDL Number:
MFCD18070992
IUPAC Name:
2-methyl-2-(5-nitropyridin-2-yl)propanenitrile
InChI:
InChI=1S/C9H9N3O2/c1-9(2,6-10)8-4-3-7(5-11-8)12(13)14/h3-5H,1-2H3
InChI Key:
WGTZNLRJXIIZEB-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cn1)[N+](=O)[O-])(C)C
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties