Home Carboxys Methyl 5-(trifluoromethyl)pyrazole-3-carboxylate

Methyl 5-(trifluoromethyl)pyrazole-3-carboxylate

CAS No.:
6833-82-5
Catalog Number:
AG003RWU
Molecular Formula:
C6H5F3N2O2
Molecular Weight:
194.1113
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$100
- +
1g
98%
In Stock USA
United States
$213
- +
5g
98%
In Stock USA
United States
$650
- +
Product Description
Catalog Number:
AG003RWU
Chemical Name:
Methyl 5-(trifluoromethyl)pyrazole-3-carboxylate
CAS Number:
6833-82-5
Molecular Formula:
C6H5F3N2O2
Molecular Weight:
194.1113
MDL Number:
MFCD09754160
IUPAC Name:
methyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate
InChI:
InChI=1S/C6H5F3N2O2/c1-13-5(12)3-2-4(11-10-3)6(7,8)9/h2H,1H3,(H,10,11)
InChI Key:
UCKDGWZKTSPBOO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc([nH]n1)C(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:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties