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Home Carboxys 1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-carboxylic acid

1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-carboxylic acid

CAS No.:
942853-22-7
Catalog Number:
AG00II0R
Molecular Formula:
C6H5F3N2O2
Molecular Weight:
194.1113
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
98%
In Stock USA
United States
$125
- +
250mg
98%
In Stock USA
United States
$250
- +
1g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00II0R
Chemical Name:
1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-carboxylic acid
CAS Number:
942853-22-7
Molecular Formula:
C6H5F3N2O2
Molecular Weight:
194.1113
MDL Number:
MFCD08556202
IUPAC Name:
1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid
InChI:
InChI=1S/C6H5F3N2O2/c7-6(8,9)3-11-2-1-4(10-11)5(12)13/h1-2H,3H2,(H,12,13)
InChI Key:
OJXAMYQOVDVCHO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccn(n1)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:
1.1  
Properties