Home Aminos diethyl{[(4-nitrophenyl)amino]methylene}malonate

diethyl{[(4-nitrophenyl)amino]methylene}malonate

CAS No.:
78596-42-6
Catalog Number:
AG005KTI
Molecular Formula:
C14H16N2O6
Molecular Weight:
308.2866
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
97%
1 week
United States
$219
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Product Description
Catalog Number:
AG005KTI
Chemical Name:
diethyl{[(4-nitrophenyl)amino]methylene}malonate
CAS Number:
78596-42-6
Molecular Formula:
C14H16N2O6
Molecular Weight:
308.2866
MDL Number:
MFCD00498977
IUPAC Name:
diethyl 2-[(4-nitroanilino)methylidene]propanedioate
InChI:
InChI=1S/C14H16N2O6/c1-3-21-13(17)12(14(18)22-4-2)9-15-10-5-7-11(8-6-10)16(19)20/h5-9,15H,3-4H2,1-2H3
InChI Key:
UYYMMFBRRNQYGI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=CNc1ccc(cc1)[N+](=O)[O-])C(=O)OCC
NSC Number:
79186
Properties
Complexity:
415  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.101g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
308.29g/mol
Monoisotopic Mass:
308.101g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties