Home Nitriles 2-(5-Nitropyridin-2-yl)acetonitrile

2-(5-Nitropyridin-2-yl)acetonitrile

CAS No.:
123846-66-2
Catalog Number:
AG000L5K
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$144
- +
5g
95%
In Stock USA
United States
$444
- +
10g
95%
In Stock USA
United States
$775
- +
Product Description
Catalog Number:
AG000L5K
Chemical Name:
2-(5-Nitropyridin-2-yl)acetonitrile
CAS Number:
123846-66-2
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
MDL Number:
MFCD09033814
IUPAC Name:
2-(5-nitropyridin-2-yl)acetonitrile
InChI:
InChI=1S/C7H5N3O2/c8-4-3-6-1-2-7(5-9-6)10(11)12/h1-2,5H,3H2
InChI Key:
PHCKNSBYAFTJKZ-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cn1)[N+](=O)[O-]
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.038g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.136g/mol
Monoisotopic Mass:
163.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties