Home Carboxys 2,4,6-Trinitrophenol ethyl pyridine-3-carboxylate

2,4,6-Trinitrophenol ethyl pyridine-3-carboxylate

CAS No.:
287393-86-6
Catalog Number:
AG01EUOM
Molecular Formula:
C14H12N4O9
Molecular Weight:
380.2665
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
95%
1 week
United States
$267
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Product Description
Catalog Number:
AG01EUOM
Chemical Name:
2,4,6-Trinitrophenol ethyl pyridine-3-carboxylate
CAS Number:
287393-86-6
Molecular Formula:
C14H12N4O9
Molecular Weight:
380.2665
MDL Number:
MFCD00956219
IUPAC Name:
ethyl pyridine-3-carboxylate;2,4,6-trinitrophenol
InChI:
InChI=1S/C8H9NO2.C6H3N3O7/c1-2-11-8(10)7-4-3-5-9-6-7;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-6H,2H2,1H3;1-2,10H
InChI Key:
RYLONJJNGVYWFF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.CCOC(=O)c1cccnc1
Properties
Complexity:
428  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.06g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
380.269g/mol
Monoisotopic Mass:
380.06g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
197A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties