Home Nitriles 2-(6-(Benzyloxy)-3-nitropyridin-2-yl)acetonitrile

2-(6-(Benzyloxy)-3-nitropyridin-2-yl)acetonitrile

CAS No.:
127792-77-2
Catalog Number:
AG01DIC6
Molecular Formula:
C14H11N3O3
Molecular Weight:
269.2554
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$152
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Product Description
Catalog Number:
AG01DIC6
Chemical Name:
2-(6-(Benzyloxy)-3-nitropyridin-2-yl)acetonitrile
CAS Number:
127792-77-2
Molecular Formula:
C14H11N3O3
Molecular Weight:
269.2554
MDL Number:
MFCD19648959
IUPAC Name:
2-(3-nitro-6-phenylmethoxypyridin-2-yl)acetonitrile
InChI:
InChI=1S/C14H11N3O3/c15-9-8-12-13(17(18)19)6-7-14(16-12)20-10-11-4-2-1-3-5-11/h1-7H,8,10H2
InChI Key:
OGTHCIVCSUBYSS-UHFFFAOYSA-N
SMILES:
N#CCc1nc(OCc2ccccc2)ccc1[N+](=O)[O-]
Properties
Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.08g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.26g/mol
Monoisotopic Mass:
269.08g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties