Home Carboxys 3-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid

3-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid

CAS No.:
1038398-68-3
Catalog Number:
AG00HA70
Molecular Formula:
C11H7F3N2O2
Molecular Weight:
256.1807
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$133
- +
250mg
95%
In Stock USA
United States
$243
- +
1g
95%
In Stock USA
United States
$486
- +
5g
95%
In Stock USA
United States
$1456
- +
Product Description
Catalog Number:
AG00HA70
Chemical Name:
3-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid
CAS Number:
1038398-68-3
Molecular Formula:
C11H7F3N2O2
Molecular Weight:
256.1807
MDL Number:
MFCD09749428
IUPAC Name:
3-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C11H7F3N2O2/c12-11(13,14)7-3-1-6(2-4-7)8-5-9(10(17)18)16-15-8/h1-5H,(H,15,16)(H,17,18)
InChI Key:
SXCLKFLMZFOPIX-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c(c1)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.046g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
256.184g/mol
Monoisotopic Mass:
256.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties