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

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

CAS No.:
639784-60-4
Catalog Number:
AG00ED3G
Molecular Formula:
C13H11F3N2O2
Molecular Weight:
284.2338
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$65
- +
250mg
95%
In Stock USA
United States
$90
- +
500mg
95%
In Stock USA
United States
$139
- +
1g
95%
In Stock USA
United States
$183
- +
Product Description
Catalog Number:
AG00ED3G
Chemical Name:
3-[4-(Trifluoromethyl)phenyl]-1h-pyrazole-5-carboxylic acid ethyl ester
CAS Number:
639784-60-4
Molecular Formula:
C13H11F3N2O2
Molecular Weight:
284.2338
MDL Number:
MFCD09749421
IUPAC Name:
ethyl 3-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate
InChI:
InChI=1S/C13H11F3N2O2/c1-2-20-12(19)11-7-10(17-18-11)8-3-5-9(6-4-8)13(14,15)16/h3-7H,2H2,1H3,(H,17,18)
InChI Key:
UFCMHAIKTZLMJW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc([nH]n1)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
341  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.077g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
284.238g/mol
Monoisotopic Mass:
284.077g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties