| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 14th, 2008 | 13 | Yes |
Popular Name: 4-bromo-1-benzothiophene-2-carboxylic acid 4-bromo-1-benzothiophene-2-carbo…
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CAS Numbers: 5194-37-6 , [5194-37-6]
4-bromo-1-benzothiophene-2-carboxylicacid
4-bromobenzo[b]thiophene-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) | 3.48 | -1 | -51.16 | 0 | 2 | -1 | 40 | 256.1 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 265 | KeyOrganics |
| MP | 265° | Matrix Scientific |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_PATENT_ID | US4122273; US4123440; US4139533 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.