Home Nitriles 4-Methoxy-3-nitrobenzonitrile

4-Methoxy-3-nitrobenzonitrile

CAS No.:
33224-23-6
Catalog Number:
AG00C093
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$38
- +
5g
95%
In Stock USA
United States
$88
- +
25g
95%
In Stock USA
United States
$325
- +
100g
95%
In Stock USA
United States
$975
- +
Product Description
Catalog Number:
AG00C093
Chemical Name:
4-Methoxy-3-nitrobenzonitrile
CAS Number:
33224-23-6
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD00221439
IUPAC Name:
4-methoxy-3-nitrobenzonitrile
InChI:
InChI=1S/C8H6N2O3/c1-13-8-3-2-6(5-9)4-7(8)10(11)12/h2-4H,1H3
InChI Key:
ACAYRJJVKPMSIS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1[N+](=O)[O-])C#N
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:
1.5  
Properties