Home Nitriles 2-methyl-2-(3-nitropyridin-2-yl)propanenitrile

2-methyl-2-(3-nitropyridin-2-yl)propanenitrile

CAS No.:
1863038-30-5
Catalog Number:
AG01C7BL
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
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Product Description
Catalog Number:
AG01C7BL
Chemical Name:
2-methyl-2-(3-nitropyridin-2-yl)propanenitrile
CAS Number:
1863038-30-5
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
MDL Number:
MFCD31435783
IUPAC Name:
2-methyl-2-(3-nitropyridin-2-yl)propanenitrile
InChI:
InChI=1S/C9H9N3O2/c1-9(2,6-10)8-7(12(13)14)4-3-5-11-8/h3-5H,1-2H3
InChI Key:
AEZKMQYHUVLBSQ-UHFFFAOYSA-N
SMILES:
N#CC(c1ncccc1[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:
1.3  
Properties