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Ethyl 4-(trifluoromethyl)thiazole-2-carboxylate

CAS No.:
79247-86-2
Catalog Number:
AG003Q9B
Molecular Formula:
C7H6F3NO2S
Molecular Weight:
225.1882
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$100
- +
1g
95%
In Stock USA
United States
$225
- +
5g
95%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG003Q9B
Chemical Name:
Ethyl 4-(trifluoromethyl)thiazole-2-carboxylate
CAS Number:
79247-86-2
Molecular Formula:
C7H6F3NO2S
Molecular Weight:
225.1882
MDL Number:
MFCD08669898
IUPAC Name:
ethyl 4-(trifluoromethyl)-1,3-thiazole-2-carboxylate
InChI:
InChI=1S/C7H6F3NO2S/c1-2-13-6(12)5-11-4(3-14-5)7(8,9)10/h3H,2H2,1H3
InChI Key:
PSTFYCCCZHOTHW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1scc(n1)C(F)(F)F
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.007g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.185g/mol
Monoisotopic Mass:
225.007g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties