Home Carboxys ethyl 4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylate

CAS No.:
1876746-56-3
Catalog Number:
AG01EIG0
Molecular Formula:
C9H10F3NO2S
Molecular Weight:
253.2414
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Product Description
Catalog Number:
AG01EIG0
Chemical Name:
ethyl 4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylate
CAS Number:
1876746-56-3
Molecular Formula:
C9H10F3NO2S
Molecular Weight:
253.2414
MDL Number:
MFCD31666726
IUPAC Name:
ethyl 4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C9H10F3NO2S/c1-3-15-8(14)7-5(2)13-6(16-7)4-9(10,11)12/h3-4H2,1-2H3
InChI Key:
WPVGQJVFOFIMRV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(nc1C)CC(F)(F)F
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.038g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.239g/mol
Monoisotopic Mass:
253.038g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties