Home Nitriles Benzonitrile, 4,5-dimethoxy-2-nitro-

Benzonitrile, 4,5-dimethoxy-2-nitro-

CAS No.:
102714-71-6
Catalog Number:
AG00087O
Molecular Formula:
C9H8N2O4
Molecular Weight:
208.1708
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
1 week
United States
$66
- +
Product Description
Catalog Number:
AG00087O
Chemical Name:
Benzonitrile, 4,5-dimethoxy-2-nitro-
CAS Number:
102714-71-6
Molecular Formula:
C9H8N2O4
Molecular Weight:
208.1708
MDL Number:
MFCD00017564
IUPAC Name:
4,5-dimethoxy-2-nitrobenzonitrile
InChI:
InChI=1S/C9H8N2O4/c1-14-8-3-6(5-10)7(11(12)13)4-9(8)15-2/h3-4H,1-2H3
InChI Key:
NQSQQGDTYKGCOT-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(cc1OC)C#N
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.048g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.173g/mol
Monoisotopic Mass:
208.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties