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Home > Nitro Compounds > 1256633-31-4
1256633-31-4 | 2-Pyridineacetonitrile, α,α-dimethyl-5-nitro-
CAS No: 1256633-31-4 Catalog No: AG000OB8 MDL No:MFCD18070992
Product Description
Catalog Number:
AG000OB8
Chemical Name:
2-Pyridineacetonitrile, α,α-dimethyl-5-nitro-
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
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