Home Nitriles 3-Methoxy-5-nitrobenzonitrile

3-Methoxy-5-nitrobenzonitrile

CAS No.:
33224-19-0
Catalog Number:
AG00CKQA
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$50
- +
5g
97%
In Stock USA
United States
$150
- +
25g
97%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG00CKQA
Chemical Name:
3-Methoxy-5-nitrobenzonitrile
CAS Number:
33224-19-0
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD00463876
IUPAC Name:
3-methoxy-5-nitrobenzonitrile
InChI:
InChI=1S/C8H6N2O3/c1-13-8-3-6(5-9)2-7(4-8)10(11)12/h2-4H,1H3
InChI Key:
IULAXWUZAPAHIH-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)cc(c1)[N+](=O)[O-]
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties