| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 14 | Yes |
Popular Name: 3-Bromo-4-hydroxy-5-methoxyphenylacetic acid 3-Bromo-4-hydroxy-5-methoxypheny…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 206559-42-4 , [206559-42-4]
| 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) | 1.67 | -1.27 | -45.9 | 1 | 4 | -1 | 69 | 260.063 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 183-185° | Fluorochem |
| MP | 193-195° | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_PATENT_ID | WO2000001692A1 | IBM Patent Data |
