| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2007 | 14 | Yes |
Popular Name: methyl 4-chloro-1-benzothiophene-2-carboxylate methyl 4-chloro-1-benzothiophene…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 35212-95-4 , [35212-95-4]
4-Chloro-benzo[b]thiophene-2-carboxylic acid methyl ester
benzo[b]thiophene-2-carboxylic acid, 4-chloro-, methyl ester
Methyl 4-chlorobenzo[b]thiophene-2-carboxylate
methyl4-chloro-1-benzothiophene-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) | 3.61 | 1.16 | -7.3 | 0 | 2 | 0 | 26 | 226.684 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 95 - 97 | KeyOrganics |
| Purity | 95% | Fluorochem |
| MP | 95-97° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.