| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2005 | 14 | Yes |
Popular Name: 2-Acetamido-5-bromobenzoic acid 2-Acetamido-5-bromobenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 38985-79-4 , [38985-79-4]
| 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) | 1.99 | -0.69 | -43.72 | 1 | 4 | -1 | 69 | 257.063 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.85 | 8.04 | -48.67 | 6 | 11 | 1 | 153 | 551.557 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 218 - 223 | Acros Organics |
| Melting_Point | 222-224? | Alfa-Aesar |
| Melting_Point | 222-224° | Alfa-Aesar |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
