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Home Carboxys Ethyl 5-amino-1-(4-nitrophenyl)-1h-pyrazole-4-carboxylate

Ethyl 5-amino-1-(4-nitrophenyl)-1h-pyrazole-4-carboxylate

CAS No.:
16459-35-1
Catalog Number:
AG001UYL
Molecular Formula:
C12H12N4O4
Molecular Weight:
276.2481
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$86
- +
1g
98%
In Stock USA
United States
$172
- +
10g
95%
In Stock USA
United States
$509
- +
Product Description
Catalog Number:
AG001UYL
Chemical Name:
Ethyl 5-amino-1-(4-nitrophenyl)-1h-pyrazole-4-carboxylate
CAS Number:
16459-35-1
Molecular Formula:
C12H12N4O4
Molecular Weight:
276.2481
MDL Number:
MFCD00277862
IUPAC Name:
ethyl 5-amino-1-(4-nitrophenyl)pyrazole-4-carboxylate
InChI:
InChI=1S/C12H12N4O4/c1-2-20-12(17)10-7-14-15(11(10)13)8-3-5-9(6-4-8)16(18)19/h3-7H,2,13H2,1H3
InChI Key:
IQYXMFOQGPEJHU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1N)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
365  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.086g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
276.252g/mol
Monoisotopic Mass:
276.086g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties