| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2004 | 17 | Yes |
Popular Name: methyl 5-(trifluoromethyl)-1-benzothiophene-2-carboxylate methyl 5-(trifluoromethyl)-1-ben…
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CAS Numbers: 146137-92-0 , [146137-92-0]
2-(Methoxycarbonyl)-5-(trifluoromethyl)-1-benzothiophene
5-Trifluoromethyl-benzo[b]thiophene-2-carboxylic acid methyl ester
methyl 5-(trifluoromethyl)benzo[b]thiophene-2-carboxylate
methyl-5-(trifluoromethyl)benzo[b]thiophene-2-carboxylate
Methyl5-(trifluoromethyl)benzo[b]thiophene-2-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) | 3.85 | 3.48 | -5.87 | 0 | 2 | 0 | 26 | 260.236 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 121 - 123 | KeyOrganics |
| MP | 123-124° | Matrix Scientific |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
