| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 13 | Yes |
Popular Name: 5-fluoro-1-benzothiophene-2-carboxylic acid 5-fluoro-1-benzothiophene-2-carb…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 70060-13-8 , [70060-13-8]
2-Carboxy-5-fluoro-1-benzothiophene
5-fluoro-1-benzothiophene-2-carboxylicacid
5-fluorobenzo[b]thiophene-2-carboxylic acid
5-Fluorobenzo[b]thiophene-2-carboxylic acid, 96%
| 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) | 1.88 | 5.67 | -47.37 | 0 | 2 | -1 | 40 | 195.194 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 207 - 209 | Enamine Building Blocks |
| MP | 207...209 | Enamine Building Blocks |
| melting_point | 240 - 243 | KeyOrganics |
| MP | 240-243° | Matrix Scientific |
| Melting_Point | 257-262? | Alfa-Aesar |
| Melting_Point | 257-262° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 96% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.