Home Carboxys Ethyl 2-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate

Ethyl 2-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate

CAS No.:
175137-35-6
Catalog Number:
AG0020C0
Molecular Formula:
C13H10F3N3O4
Molecular Weight:
329.2314
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$82
- +
5g
1 week
United States
$269
- +
Product Description
Catalog Number:
AG0020C0
Chemical Name:
Ethyl 2-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate
CAS Number:
175137-35-6
Molecular Formula:
C13H10F3N3O4
Molecular Weight:
329.2314
MDL Number:
MFCD00173868
IUPAC Name:
ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
InChI:
InChI=1S/C13H10F3N3O4/c1-2-23-12(20)10-7-17-18(11(10)13(14,15)16)8-3-5-9(6-4-8)19(21)22/h3-7H,2H2,1H3
InChI Key:
QNUASRIZVSLLGS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1C(F)(F)F)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
447  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.062g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.235g/mol
Monoisotopic Mass:
329.062g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties