Home Carboxys Ethyl 4-hydroxy-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxylate

Ethyl 4-hydroxy-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxylate

CAS No.:
227199-08-8
Catalog Number:
AG006WWC
Molecular Formula:
C13H10F3NO3S
Molecular Weight:
317.2836
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Product Description
Catalog Number:
AG006WWC
Chemical Name:
Ethyl 4-hydroxy-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxylate
CAS Number:
227199-08-8
Molecular Formula:
C13H10F3NO3S
Molecular Weight:
317.2836
MDL Number:
MFCD00816788
IUPAC Name:
ethyl 4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C13H10F3NO3S/c1-2-20-12(19)9-10(18)17-11(21-9)7-3-5-8(6-4-7)13(14,15)16/h3-6,18H,2H2,1H3
InChI Key:
ZBBWVSQYLJQTIB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(nc1O)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
372  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.033g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
317.282g/mol
Monoisotopic Mass:
317.033g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties