Home Nitros Ethyl 2-nitro-4-(1-pyrazolyl)benzoate

Ethyl 2-nitro-4-(1-pyrazolyl)benzoate

CAS No.:
1375064-66-6
Catalog Number:
AG0013ET
Molecular Formula:
C12H11N3O4
Molecular Weight:
261.2334
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>97%
In Stock USA
United States
$380
- +
Product Description
Catalog Number:
AG0013ET
Chemical Name:
Ethyl 2-nitro-4-(1-pyrazolyl)benzoate
CAS Number:
1375064-66-6
Molecular Formula:
C12H11N3O4
Molecular Weight:
261.2334
MDL Number:
MFCD22205849
IUPAC Name:
ethyl 2-nitro-4-pyrazol-1-ylbenzoate
InChI:
InChI=1S/C12H11N3O4/c1-2-19-12(16)10-5-4-9(8-11(10)15(17)18)14-7-3-6-13-14/h3-8H,2H2,1H3
InChI Key:
GLXZTAMHMOVJEM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1[N+](=O)[O-])n1cccn1
Properties
Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.075g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.237g/mol
Monoisotopic Mass:
261.075g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties