Home Carboxys 2-(4-Chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid

2-(4-Chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid

CAS No.:
98534-80-6
Catalog Number:
AG005UF3
Molecular Formula:
C11H6ClF3N2O2
Molecular Weight:
290.6257
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
In Stock USA
United States
$121
- +
5g
In Stock USA
United States
$190
- +
Product Description
Catalog Number:
AG005UF3
Chemical Name:
2-(4-Chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CAS Number:
98534-80-6
Molecular Formula:
C11H6ClF3N2O2
Molecular Weight:
290.6257
MDL Number:
MFCD00068142
IUPAC Name:
1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H6ClF3N2O2/c12-6-1-3-7(4-2-6)17-9(11(13,14)15)8(5-16-17)10(18)19/h1-5H,(H,18,19)
InChI Key:
HSZJMDBOSZVDOK-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1ncc(c1C(F)(F)F)C(=O)O
Properties
Complexity:
345  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.007g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
290.626g/mol
Monoisotopic Mass:
290.007g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties