Home Nitros Ethyl (4-nitro-1h-pyrazol-1-yl)acetate

Ethyl (4-nitro-1h-pyrazol-1-yl)acetate

CAS No.:
39753-81-6
Catalog Number:
AG00I7T5
Molecular Formula:
C7H9N3O4
Molecular Weight:
199.1641
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$86
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Product Description
Catalog Number:
AG00I7T5
Chemical Name:
Ethyl (4-nitro-1h-pyrazol-1-yl)acetate
CAS Number:
39753-81-6
Molecular Formula:
C7H9N3O4
Molecular Weight:
199.1641
MDL Number:
MFCD00297171
IUPAC Name:
ethyl 2-(4-nitropyrazol-1-yl)acetate
InChI:
InChI=1S/C7H9N3O4/c1-2-14-7(11)5-9-4-6(3-8-9)10(12)13/h3-4H,2,5H2,1H3
InChI Key:
XDEFHGLUBFLYGV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(nc1)CC(=O)OCC
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.166g/mol
Monoisotopic Mass:
199.059g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties