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Ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate

CAS No.:
155377-19-8
Catalog Number:
AG001NV6
Molecular Formula:
C7H7F3N2O2
Molecular Weight:
208.1379
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$19
- +
5g
97%
In Stock USA
United States
$64
- +
25g
97%
In Stock USA
United States
$228
- +
Product Description
Catalog Number:
AG001NV6
Chemical Name:
Ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CAS Number:
155377-19-8
Molecular Formula:
C7H7F3N2O2
Molecular Weight:
208.1379
MDL Number:
MFCD00052083
IUPAC Name:
ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C7H7F3N2O2/c1-2-14-6(13)4-3-11-12-5(4)7(8,9)10/h3H,2H2,1H3,(H,11,12)
InChI Key:
VYXIHSAEOXPAEY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]nc1C(F)(F)F
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.046g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.14g/mol
Monoisotopic Mass:
208.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
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