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Home Carboxys 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

CAS No.:
98534-81-7
Catalog Number:
AG005UF2
Molecular Formula:
C11H7F3N2O2
Molecular Weight:
256.1807
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
In Stock USA
United States
$116
- +
1g
In Stock USA
United States
$125
- +
Product Description
Catalog Number:
AG005UF2
Chemical Name:
1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CAS Number:
98534-81-7
Molecular Formula:
C11H7F3N2O2
Molecular Weight:
256.1807
MDL Number:
MFCD00173854
IUPAC Name:
1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H7F3N2O2/c12-11(13,14)9-8(10(17)18)6-15-16(9)7-4-2-1-3-5-7/h1-6H,(H,17,18)
InChI Key:
SMPJBTIFNUUWGQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1C(F)(F)F)c1ccccc1
Properties
Complexity:
316  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
256.184g/mol
Monoisotopic Mass:
256.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties