| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2007 | 16 | Yes |
Popular Name: 7-(Trifluoromethyl)benzo[b]thiophene-2-carboxylic acid 7-(Trifluoromethyl)benzo[b]thiop…
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CAS Numbers: 550998-66-8 , [550998-66-8]
7-(trifluoromethyl)-1-benzothiophene-2-carboxylic acid
| 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) | 3.56 | 1.92 | -51.7 | 0 | 2 | -1 | 40 | 245.201 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 191 - 195 | KeyOrganics |
| MP | 191-195° | Matrix Scientific |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.