Home Nitriles 3-Methoxy-2-nitrobenzonitrile

3-Methoxy-2-nitrobenzonitrile

CAS No.:
142596-50-7
Catalog Number:
AG009D69
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$200
- +
5g
95%
In Stock USA
United States
$600
- +
10g
95%
In Stock USA
United States
$1050
- +
25g
95%
In Stock USA
United States
$1875
- +
Product Description
Catalog Number:
AG009D69
Chemical Name:
3-Methoxy-2-nitrobenzonitrile
CAS Number:
142596-50-7
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD18382535
IUPAC Name:
3-methoxy-2-nitrobenzonitrile
InChI:
InChI=1S/C8H6N2O3/c1-13-7-4-2-3-6(5-9)8(7)10(11)12/h2-4H,1H3
InChI Key:
OXWWZQUPPXKYQB-UHFFFAOYSA-N
SMILES:
COc1cccc(c1[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:
1.4  
Properties