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


Chemical Name: 2-methyl-2-(5-nitropyridin-2-yl)propanenitrile
CAS Number: 1256633-31-4
Product Number: AG000OB8(AGN-PC-09PZS5)
Synonyms:
MDL No: MFCD18070992
Molecular Formula: C9H9N3O2
Molecular Weight: 191.1867

Identification/Properties


Computed Properties
Molecular Weight:
191.19g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
191.069g/mol
Monoisotopic Mass:
191.069g/mol
Topological Polar Surface Area:
82.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
274
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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