Home Nitriles 2-Methoxy-4-nitrobenzonitrile

2-Methoxy-4-nitrobenzonitrile

CAS No.:
101084-96-2
Catalog Number:
AG0003QC
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$32
- +
5g
95%
In Stock USA
United States
$100
- +
25g
95%
In Stock USA
United States
$362
- +
Product Description
Catalog Number:
AG0003QC
Chemical Name:
2-Methoxy-4-nitrobenzonitrile
CAS Number:
101084-96-2
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD02093781
IUPAC Name:
2-methoxy-4-nitrobenzonitrile
InChI:
InChI=1S/C8H6N2O3/c1-13-8-4-7(10(11)12)3-2-6(8)5-9/h2-4H,1H3
InChI Key:
MLIKCKXLGYEGAO-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C#N)[N+](=O)[O-]
NSC Number:
157423
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:
1.9  
Properties