Home Carboxys 5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid

5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid

CAS No.:
187998-46-5
Catalog Number:
AG01DTS0
Molecular Formula:
C12H6F6N2O2
Molecular Weight:
324.1787
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$70
- +
250mg
95%
In Stock USA
United States
$126
- +
1g
95%
In Stock USA
United States
$220
- +
Product Description
Catalog Number:
AG01DTS0
Chemical Name:
5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CAS Number:
187998-46-5
Molecular Formula:
C12H6F6N2O2
Molecular Weight:
324.1787
MDL Number:
MFCD31651415
IUPAC Name:
5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
InChI:
InChI=1S/C12H6F6N2O2/c13-11(14,15)6-1-3-7(4-2-6)20-9(12(16,17)18)8(5-19-20)10(21)22/h1-5H,(H,21,22)
InChI Key:
ALMFCZMUUGHOGY-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1C(F)(F)F)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
417  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.033g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
324.182g/mol
Monoisotopic Mass:
324.033g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties