Home Carboxys 1-Methyl-3-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid

1-Methyl-3-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid

CAS No.:
113100-53-1
Catalog Number:
AG003EHO
Molecular Formula:
C6H5F3N2O2
Molecular Weight:
194.1113
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$63
- +
25g
98%
In Stock USA
United States
$282
- +
100g
98%
In Stock USA
United States
$938
- +
Product Description
Catalog Number:
AG003EHO
Chemical Name:
1-Methyl-3-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid
CAS Number:
113100-53-1
Molecular Formula:
C6H5F3N2O2
Molecular Weight:
194.1113
MDL Number:
MFCD01936005
IUPAC Name:
1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C6H5F3N2O2/c1-11-2-3(5(12)13)4(10-11)6(7,8)9/h2H,1H3,(H,12,13)
InChI Key:
FZNKJQNEJGXCJH-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)C(F)(F)F)C(=O)O
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:
0.7  
Properties