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Home Carboxys 1-Methyl-3-(trifluoromethyl)-1h-pyrazole-5-carboxylic acid

1-Methyl-3-(trifluoromethyl)-1h-pyrazole-5-carboxylic acid

CAS No.:
128694-63-3
Catalog Number:
AG000YBT
Molecular Formula:
C6H5F3N2O2
Molecular Weight:
194.1113
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$75
- +
1g
98%
In Stock USA
United States
$200
- +
5g
95%
In Stock USA
United States
$671
- +
10g
98%
In Stock USA
United States
$1050
- +
25g
98%
In Stock USA
United States
$2100
- +
Product Description
Catalog Number:
AG000YBT
Chemical Name:
1-Methyl-3-(trifluoromethyl)-1h-pyrazole-5-carboxylic acid
CAS Number:
128694-63-3
Molecular Formula:
C6H5F3N2O2
Molecular Weight:
194.1113
MDL Number:
MFCD02090853
IUPAC Name:
2-methyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid
InChI:
InChI=1S/C6H5F3N2O2/c1-11-3(5(12)13)2-4(10-11)6(7,8)9/h2H,1H3,(H,12,13)
InChI Key:
AQUQLOWJSBFHBD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(nn1C)C(F)(F)F
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.03g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.113g/mol
Monoisotopic Mass:
194.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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