Home Carboxys Ethyl 4-nitro-1H-pyrazole-3-carboxylate

Ethyl 4-nitro-1H-pyrazole-3-carboxylate

CAS No.:
55864-87-4
Catalog Number:
AG00DFRF
Molecular Formula:
C6H7N3O4
Molecular Weight:
185.1375
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95+%
1 week
United States
$57
- +
Product Description
Catalog Number:
AG00DFRF
Chemical Name:
Ethyl 4-nitro-1H-pyrazole-3-carboxylate
CAS Number:
55864-87-4
Molecular Formula:
C6H7N3O4
Molecular Weight:
185.1375
MDL Number:
MFCD00195040
IUPAC Name:
ethyl 4-nitro-1H-pyrazole-5-carboxylate
InChI:
InChI=1S/C6H7N3O4/c1-2-13-6(10)5-4(9(11)12)3-7-8-5/h3H,2H2,1H3,(H,7,8)
InChI Key:
GNGKEGKMDXAMKJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn[nH]c1C(=O)OCC
NSC Number:
360636
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:
0.6  
Properties