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Home Carboxys Ethyl 3-methyl-4-nitro-1H-pyrazole-5-carboxylate

Ethyl 3-methyl-4-nitro-1H-pyrazole-5-carboxylate

CAS No.:
28668-07-7
Catalog Number:
AG01F74X
Molecular Formula:
C7H9N3O4
Molecular Weight:
199.1641
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
90%
1 week
United States
$267
- +
Product Description
Catalog Number:
AG01F74X
Chemical Name:
Ethyl 3-methyl-4-nitro-1H-pyrazole-5-carboxylate
CAS Number:
28668-07-7
Molecular Formula:
C7H9N3O4
Molecular Weight:
199.1641
MDL Number:
MFCD02947463
IUPAC Name:
ethyl 5-methyl-4-nitro-1H-pyrazole-3-carboxylate
InChI:
InChI=1S/C7H9N3O4/c1-3-14-7(11)5-6(10(12)13)4(2)8-9-5/h3H2,1-2H3,(H,8,9)
InChI Key:
SEOSHNJYGNBYDJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]nc(c1[N+](=O)[O-])C
Properties
Complexity:
240  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
199.166g/mol
Monoisotopic Mass:
199.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties