Home Carboxys 1-Methyl-3-[4-(trifluoromethyl)phenyl]-1h-pyrazole-5-carboxylic acid ethyl ester

1-Methyl-3-[4-(trifluoromethyl)phenyl]-1h-pyrazole-5-carboxylic acid ethyl ester

CAS No.:
864426-78-8
Catalog Number:
AG00IE2I
Molecular Formula:
C14H13F3N2O2
Molecular Weight:
298.2604
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$104
- +
250mg
95%
In Stock USA
United States
$189
- +
1g
95%
In Stock USA
United States
$337
- +
Product Description
Catalog Number:
AG00IE2I
Chemical Name:
1-Methyl-3-[4-(trifluoromethyl)phenyl]-1h-pyrazole-5-carboxylic acid ethyl ester
CAS Number:
864426-78-8
Molecular Formula:
C14H13F3N2O2
Molecular Weight:
298.2604
MDL Number:
MFCD17193486
IUPAC Name:
ethyl 2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
InChI:
InChI=1S/C14H13F3N2O2/c1-3-21-13(20)12-8-11(18-19(12)2)9-4-6-10(7-5-9)14(15,16)17/h4-8H,3H2,1-2H3
InChI Key:
OPKGCYUXZNHKCJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(nn1C)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.093g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.265g/mol
Monoisotopic Mass:
298.093g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties