Home Carboxys 1-(2,2,2-Trifluoroethyl)-1h-pyrazole-4-carboxylic acid

1-(2,2,2-Trifluoroethyl)-1h-pyrazole-4-carboxylic acid

CAS No.:
288251-60-5
Catalog Number:
AG002WO1
Molecular Formula:
C6H5F3N2O2
Molecular Weight:
194.1113
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$414
- +
Product Description
Catalog Number:
AG002WO1
Chemical Name:
1-(2,2,2-Trifluoroethyl)-1h-pyrazole-4-carboxylic acid
CAS Number:
288251-60-5
Molecular Formula:
C6H5F3N2O2
Molecular Weight:
194.1113
MDL Number:
MFCD08556229
IUPAC Name:
1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C6H5F3N2O2/c7-6(8,9)3-11-2-4(1-10-11)5(12)13/h1-2H,3H2,(H,12,13)
InChI Key:
VPAMEBUGVMETCV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1)CC(F)(F)F
Properties
Complexity:
207  
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:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties