Home Nitriles 2-(Imidazol-1-yl)-5-nitrobenzonitrile

2-(Imidazol-1-yl)-5-nitrobenzonitrile

CAS No.:
17417-11-7
Catalog Number:
AG00HZMQ
Molecular Formula:
C10H6N4O2
Molecular Weight:
214.1802
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$94
- +
5g
98%
In Stock USA
United States
$350
- +
25g
98%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG00HZMQ
Chemical Name:
2-(Imidazol-1-yl)-5-nitrobenzonitrile
CAS Number:
17417-11-7
Molecular Formula:
C10H6N4O2
Molecular Weight:
214.1802
MDL Number:
MFCD02930945
IUPAC Name:
2-imidazol-1-yl-5-nitrobenzonitrile
InChI:
InChI=1S/C10H6N4O2/c11-6-8-5-9(14(15)16)1-2-10(8)13-4-3-12-7-13/h1-5,7H
InChI Key:
WWJXPYOQIWGJIS-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1n1cncc1)[N+](=O)[O-]
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.049g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.184g/mol
Monoisotopic Mass:
214.049g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties