| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 14 | Yes |
Popular Name: Ethyl 2-(trifluoromethyl)thiazole-4-carboxylate Ethyl 2-(trifluoromethyl)thiazol…
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CAS Numbers: 133046-46-5 , [133046-46-5]
4-Thiazolecarboxylic acid, 2-(trifluoromethyl)-, ethyl ester (9CI)
ethyl 2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
ethyl-2-(trifluoromethyl)thiazole-4-carboxylate
ethyl2-(trifluoromethyl)thiazole-4-carboxylate
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.94 | 4.04 | -8.14 | 0 | 3 | 0 | 39 | 225.191 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 49-50° | Oakwood Chemical |
| Purity | 95% | Fluorochem |
| Purity | 95%+ | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0421210A2; EP0421210A3; EP0728752A1; US5405861 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
