Home Carboxys Ethyl 5-nitro-1h-pyrazole-3-carboxylate

Ethyl 5-nitro-1h-pyrazole-3-carboxylate

CAS No.:
39846-84-9
Catalog Number:
AG0076WA
Molecular Formula:
C6H7N3O4
Molecular Weight:
185.1375
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$412
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Product Description
Catalog Number:
AG0076WA
Chemical Name:
Ethyl 5-nitro-1h-pyrazole-3-carboxylate
CAS Number:
39846-84-9
Molecular Formula:
C6H7N3O4
Molecular Weight:
185.1375
MDL Number:
MFCD04971172
IUPAC Name:
ethyl 5-nitro-1H-pyrazole-3-carboxylate
InChI:
InChI=1S/C6H7N3O4/c1-2-13-6(10)4-3-5(8-7-4)9(11)12/h3H,2H2,1H3,(H,7,8)
InChI Key:
SNZZJCBTYCCHNG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(n[nH]1)C(=O)OCC
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.044g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.139g/mol
Monoisotopic Mass:
185.044g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties