Ethyl 4-(trifluoromethyl)thiazole-5-carboxylate - CAS 106203-24-1
Catalog: |
BB054719 |
Product Name: |
Ethyl 4-(trifluoromethyl)thiazole-5-carboxylate |
CAS: |
106203-24-1 |
Synonyms: |
5-Thiazolecarboxylic acid, 4-(trifluoromethyl)-, ethyl ester |
IUPAC Name: | ethyl 4-(trifluoromethyl)-1,3-thiazole-5-carboxylate |
Molecular Weight: | 225.19 |
Molecular Formula: | C7H6F3NO2S |
Canonical SMILES: | CCOC(=O)C1=C(N=CS1)C(F)(F)F |
InChI: | InChI=1S/C7H6F3NO2S/c1-2-13-6(12)4-5(7(8,9)10)11-3-14-4/h3H,2H2,1H3 |
InChI Key: | MLZQFBNVLJIBLJ-UHFFFAOYSA-N |
Boiling Point: | 264.167°C at 760 mmHg |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.00713409 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.00713409 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 67.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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