Home Nitriles 3-Methoxy-4-nitrobenzonitrile

3-Methoxy-4-nitrobenzonitrile

CAS No.:
177476-75-4
Catalog Number:
AG0025BP
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$100
- +
1g
98%
In Stock USA
United States
$232
- +
5g
98%
In Stock USA
United States
$575
- +
Product Description
Catalog Number:
AG0025BP
Chemical Name:
3-Methoxy-4-nitrobenzonitrile
CAS Number:
177476-75-4
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD11977368
IUPAC Name:
3-methoxy-4-nitrobenzonitrile
InChI:
InChI=1S/C8H6N2O3/c1-13-8-4-6(5-9)2-3-7(8)10(11)12/h2-4H,1H3
InChI Key:
LCBUSDDLYBHQFA-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)ccc1[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