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Home Halogens 5-chloro-3-(trifluoromethyl)-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid

5-chloro-3-(trifluoromethyl)-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid

CAS No.:
1152979-31-1
Catalog Number:
AG01DTM5
Molecular Formula:
C11H5ClF4N2O2
Molecular Weight:
308.6162
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:
AG01DTM5
Chemical Name:
5-chloro-3-(trifluoromethyl)-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid
CAS Number:
1152979-31-1
Molecular Formula:
C11H5ClF4N2O2
Molecular Weight:
308.6162
MDL Number:
MFCD13656010
IUPAC Name:
5-chloro-1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H5ClF4N2O2/c12-9-7(10(19)20)8(11(14,15)16)17-18(9)6-3-1-5(13)2-4-6/h1-4H,(H,19,20)
InChI Key:
PCTHVBSBJVFGFD-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)n1nc(c(c1Cl)C(=O)O)C(F)(F)F
Properties
Complexity:
374  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.998g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
308.617g/mol
Monoisotopic Mass:
307.998g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties