Home Halogens Ethyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxylate

Ethyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxylate

CAS No.:
112055-36-4
Catalog Number:
AG007UQV
Molecular Formula:
C13H10ClF3N2O2
Molecular Weight:
318.6789
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$91
- +
5g
1 week
United States
$198
- +
25g
≥ 98% (HPLC)
1 week
United States
$931
- +
Product Description
Catalog Number:
AG007UQV
Chemical Name:
Ethyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxylate
CAS Number:
112055-36-4
Molecular Formula:
C13H10ClF3N2O2
Molecular Weight:
318.6789
MDL Number:
MFCD00052074
IUPAC Name:
ethyl 1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
InChI:
InChI=1S/C13H10ClF3N2O2/c1-2-21-12(20)10-7-18-19(11(10)13(15,16)17)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3
InChI Key:
AXOBLWLBBFCXOG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1C(F)(F)F)c1ccc(cc1)Cl
Properties
Complexity:
373  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.038g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.68g/mol
Monoisotopic Mass:
318.038g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties