Home Nitros Ethyl 2-cyano-2-(4-nitrophenyl)acetate

Ethyl 2-cyano-2-(4-nitrophenyl)acetate

CAS No.:
91090-86-7
Catalog Number:
AG006EWR
Molecular Formula:
C11H10N2O4
Molecular Weight:
234.2081
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$375
- +
Product Description
Catalog Number:
AG006EWR
Chemical Name:
Ethyl 2-cyano-2-(4-nitrophenyl)acetate
CAS Number:
91090-86-7
Molecular Formula:
C11H10N2O4
Molecular Weight:
234.2081
MDL Number:
MFCD03412571
IUPAC Name:
ethyl 2-cyano-2-(4-nitrophenyl)acetate
InChI:
InChI=1S/C11H10N2O4/c1-2-17-11(14)10(7-12)8-3-5-9(6-4-8)13(15)16/h3-6,10H,2H2,1H3
InChI Key:
KVRRHMXPWJVDRK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccc(cc1)[N+](=O)[O-])C#N
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.064g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.211g/mol
Monoisotopic Mass:
234.064g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties